Geometry & MOs

Info

ID:

108931

PubChem CID:

50265321

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-289.54

Dipole, Da:

8.13

IP(EA), eV:

 -9.03(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations