Geometry & MOs

Info

ID:

181124

PubChem CID:

76715636

Reduced:

F2S2N3O6C37H41 (1)

Stoich.:

A2B2C3D6E37F41 (1)

Weight, g/mol:

735.346584

ΔHf, kcal/mol:

-252.52

Dipole, Da:

10.11

IP(EA), eV:

 -9.51(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(dimethylsulfamoyl)-14-[(3-fluoro-5-methylphenyl)methyl]-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(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=CC=CC=C6S5)CC7=CC(=CC(=C7)F)F

DOS

IR

Vibrations