Geometry & MOs

Info

ID:

181108

PubChem CID:

76715620

Reduced:

S2N4O7C50H62 (1)

Stoich.:

A2B4C7D50E62 (1)

Weight, g/mol:

725.240485

ΔHf, kcal/mol:

-177.84

Dipole, Da:

10.82

IP(EA), eV:

 -8.8(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(3,4-difluorophenyl)methyl]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(CCCCCC=C)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4(CC4)C)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C

DOS

IR

Vibrations