Geometry & MOs

Info

ID:

117136

PubChem CID:

50592302

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-173.43

Dipole, Da:

4.66

IP(EA), eV:

 -8.97(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-chloro-2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations