Geometry & MOs

Info

ID:	420572
PubChem CID:	135114027
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	706.362488
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	5.05
IP(EA), eV:	-9.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-15-[1-(methoxymethyl)cyclobutanecarbonyl]-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):