Geometry & MOs

Info

ID:

181206

PubChem CID:

76715719

Reduced:

S2N3O7C38H45 (1)

Stoich.:

A2B3C7D38E45 (1)

Weight, g/mol:

755.285206

ΔHf, kcal/mol:

-193.94

Dipole, Da:

7.77

IP(EA), eV:

 -8.73(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-[(3,4-difluorophenyl)methyl]-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CCC6=CC=CC=C6)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations