Geometry & MOs

Info

ID:

92497

PubChem CID:

49987342

Reduced:

O4N5C34H45 (1)

Stoich.:

A4B5C34D45 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-170.39

Dipole, Da:

8.4

IP(EA), eV:

 -8.86(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations