Geometry & MOs

Info

ID:	246679
PubChem CID:	103064603
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	317.050398
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	10.94
IP(EA), eV:	-8.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)S(=O)(=O)NC2CCSC2)[N+](=O)[O-]

DOS

IR

Vibrations