Geometry & MOs

Info

ID:

112462

PubChem CID:

50408007

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

552.269633

ΔHf, kcal/mol:

-159.04

Dipole, Da:

1.63

IP(EA), eV:

 -8.84(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methoxyanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations