Geometry & MOs

Info

ID:

181009

PubChem CID:

76715520

Reduced:

S3N4O6C38H48 (1)

Stoich.:

A3B4C6D38E48 (1)

Weight, g/mol:

659.337064

ΔHf, kcal/mol:

-169.68

Dipole, Da:

10.4

IP(EA), eV:

 -9.34(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-tert-butylanilino)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

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=NC(=CS7)C(C)(C)C

DOS

IR

Vibrations