Geometry & MOs

Info

ID:	423108
PubChem CID:	135118953
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	754.293088
ΔH_f, kcal/mol:	-135.92
Dipole, Da:	2.44
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-15-(1,2-oxazole-3-carbonyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

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

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)CCCC(=O)C3=CC=CC=C3)O

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

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)CCCC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):