Geometry & MOs

Info

ID:	223611
PubChem CID:	85335306
Reduced:	SCl2N3O4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	455.174247
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	3.81
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-acetylpiperidin-4-yl)-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)C=CC(=O)NO

DOS

IR

Vibrations