Geometry & MOs

Info

ID:	246690
PubChem CID:	103064626
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	7.09
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(thiolan-3-yl)quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations