Geometry & MOs

Info

ID:

437354

PubChem CID:

135226163

Reduced:

O2N3C16H29 (1)

Stoich.:

A2B3C16D29 (1)

Weight, g/mol:

781.202729

ΔHf, kcal/mol:

-98.8

Dipole, Da:

2.6

IP(EA), eV:

 -8.37(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-acetyl-1-[2-[(2S)-2-[[3-(4-chloro-1-oxo-2,3-dihydroisoindol-5-yl)-2-fluorophenyl]carbamoyl]-4-(difluoromethylidene)pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]cyclopropyl]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)[C@@H]1CCN2N1C(=O)N(CC2)C(C)(C)C

DOS

IR

Vibrations