Geometry & MOs

Info

ID:	246678
PubChem CID:	103064602
Reduced:	S2N3O4C10H13 (1)
Stoich.:	A2B3C4D10E13 (1)
Weight, g/mol:	331.066048
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	3.8
IP(EA), eV:	-8.81(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-2-nitro-N-(thiolan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CSCC1NS(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations