Geometry & MOs

Info

ID:	246684
PubChem CID:	103064616
Reduced:	S2N3O4C10H13 (1)
Stoich.:	A2B3C4D10E13 (1)
Weight, g/mol:	331.066048
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	10.15
IP(EA), eV:	-8.54(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations