Geometry & MOs

Info

ID:	112398
PubChem CID:	50405859
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	533.15966
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	3.53
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC

DOS

IR

Vibrations