Geometry & MOs

Info

ID:

117138

PubChem CID:

50592580

Reduced:

Cl2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

677.25356

ΔHf, kcal/mol:

-193.31

Dipole, Da:

7.89

IP(EA), eV:

 -8.9(-0.86)

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-[(2-methylphenyl)carbamoyl]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=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations