Geometry & MOs

Info

ID:

113743

PubChem CID:

50456820

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-234.97

Dipole, Da:

6.41

IP(EA), eV:

 -8.78(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations