Geometry & MOs

Info

ID:

111244

PubChem CID:

50359586

Reduced:

N6O6C31H40 (1)

Stoich.:

A6B6C31D40 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-231.81

Dipole, Da:

6.06

IP(EA), eV:

 -8.99(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C(=O)NC

DOS

IR

Vibrations