Geometry & MOs

Info

ID:	60474
PubChem CID:	26697063
Reduced:	ClSN3O5C21H26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	326.117452
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	2.99
IP(EA), eV:	-8.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCN3CCOCC3

DOS

IR

Vibrations