Geometry & MOs

Info

ID:	62117
PubChem CID:	26717619
Reduced:	ClSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	456.067734
ΔH_f, kcal/mol:	-80.48
Dipole, Da:	11.85
IP(EA), eV:	-8.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations