Geometry & MOs

Info

ID:

322214

PubChem CID:

126669226

Reduced:

O2N4C31H38 (1)

Stoich.:

A2B4C31D38 (1)

Weight, g/mol:

1158.576996

ΔHf, kcal/mol:

-36.75

Dipole, Da:

4.95

IP(EA), eV:

 -8.27(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[7-[1-[3-[(2R)-3-[(3-tert-butylphenyl)carbamoyl]-1-(2-fluoro-6-methylbenzoyl)piperidin-2-yl]phenyl]pyrrolidin-3-yl]-3-methyl-1H-inden-5-yl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-[[(2S)-2-(trifluoromethyl)cyclopentyl]amino]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCCC([C@@H]2C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC(=C4)C(C)(C)C

DOS

IR

Vibrations