Geometry & MOs

Info

ID:

99728

PubChem CID:

50054710

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-163.54

Dipole, Da:

8.02

IP(EA), eV:

 -8.74(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(diethylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations