Geometry & MOs

Info

ID:	246689
PubChem CID:	103064622
Reduced:	S2N3O4C11H15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	331.066048
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	7.93
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-5-nitro-N-(thiolan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CCSC2

DOS

IR

Vibrations