Geometry & MOs

Info

ID:

312279

PubChem CID:

126604061

Reduced:

FO3N6C22H25 (1)

Stoich.:

AB3C6D22E25 (1)

Weight, g/mol:

1158.576996

ΔHf, kcal/mol:

-69.65

Dipole, Da:

10.53

IP(EA), eV:

 -8.46(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[1-[3-[(3S)-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

CCNC(=O)NC1=C=NC2=C(N1)C(=C(C(=C2)C3=CN=C(N=C3)C(C)(C)O)F)[C@H]4CCCO4

DOS

IR

Vibrations