Geometry & MOs

Info

ID:

181052

PubChem CID:

76715564

Reduced:

S2F3N3O6C39H44 (1)

Stoich.:

A2B3C3D6E39F44 (1)

Weight, g/mol:

746.351335

ΔHf, kcal/mol:

-321.57

Dipole, Da:

6.21

IP(EA), eV:

 -9.28(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-fluoro-3-methylphenyl)methyl]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-18-(1-propan-2-ylbenzimidazol-2-yl)oxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations