Geometry & MOs

Info

ID:

116848

PubChem CID:

50578082

Reduced:

Cl2N6O6C31H38 (1)

Stoich.:

A2B6C6D31E38 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-241.28

Dipole, Da:

11.31

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations