Geometry & MOs

Info

ID:	175897
PubChem CID:	75966236
Reduced:	NOF3H10C11 (2)
Stoich.:	ABC3D10E11 (2)
Weight, g/mol:	1251.192346
ΔH_f, kcal/mol:	-367.64
Dipole, Da:	8.84
IP(EA), eV:	-9.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[8-(4-amino-1,3-thiazol-2-yl)-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-35-yl]-phenylmethyl] acetate;2,2,2-trifluoroacetic acid

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):