Geometry & MOs

Info

ID:

181019

PubChem CID:

76715530

Reduced:

S2N4O7C47H56 (1)

Stoich.:

A2B4C7D47E56 (1)

Weight, g/mol:

757.181384

ΔHf, kcal/mol:

-190.99

Dipole, Da:

6.75

IP(EA), eV:

 -8.47(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(3,5-dichlorophenyl)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)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations