Geometry & MOs

Info

ID:	95306
PubChem CID:	50008020
Reduced:	Cl2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	479.253255
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	11.3
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylanilino)-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)Cl)Cl

DOS

IR

Vibrations