Geometry & MOs

Info

ID:

92490

PubChem CID:

49987251

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-181.7

Dipole, Da:

5.35

IP(EA), eV:

 -9.05(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations