Geometry & MOs

Info

ID:

181078

PubChem CID:

76715590

Reduced:

S2N3O6C36H41 (1)

Stoich.:

A2B3C6D36E41 (1)

Weight, g/mol:

761.289463

ΔHf, kcal/mol:

-147.81

Dipole, Da:

2.22

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(1,3-benzoxazol-2-ylamino)-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

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=CC=C4)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations