Geometry & MOs

Info

ID:

93143

PubChem CID:

49991947

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-212.49

Dipole, Da:

5.12

IP(EA), eV:

 -8.98(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations