Geometry & MOs

Info

ID:

93051

PubChem CID:

49991146

Reduced:

O4N5C37H45 (1)

Stoich.:

A4B5C37D45 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-142.21

Dipole, Da:

11.79

IP(EA), eV:

 -8.67(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations