Geometry & MOs

Info

ID:

99846

PubChem CID:

50055473

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-131.07

Dipole, Da:

6.61

IP(EA), eV:

 -8.78(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations