Geometry & MOs

Info

ID:	117946
PubChem CID:	50621328
Reduced:	Cl2O5N6C41H42 (1)
Stoich.:	A2B5C6D41E42 (1)
Weight, g/mol:	700.196774
ΔH_f, kcal/mol:	-154.39
Dipole, Da:	5.72
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-bis[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)NC(=O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations