Geometry & MOs

Info

ID:

111525

PubChem CID:

50371398

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-227.26

Dipole, Da:

4.28

IP(EA), eV:

 -9.0(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations