Geometry & MOs

Info

ID:	223697
PubChem CID:	85335436
Reduced:	Cl2O3N4C24H30 (1)
Stoich.:	A2B3C4D24E30 (1)
Weight, g/mol:	492.136482
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	7.43
IP(EA), eV:	-9.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC(=C1)CNC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations