Geometry & MOs

Info

ID:

95322

PubChem CID:

50008247

Reduced:

N3O3C14H18 (2)

Stoich.:

A3B3C14D18 (2)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-219.42

Dipole, Da:

7.01

IP(EA), eV:

 -8.85(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC)OC

DOS

IR

Vibrations