Geometry & MOs

Info

ID:

99894

PubChem CID:

50056059

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-172.35

Dipole, Da:

8.26

IP(EA), eV:

 -8.53(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5CCCC5

DOS

IR

Vibrations