Geometry & MOs

Info

ID:	246677
PubChem CID:	103064601
Reduced:	S2N3O4C11H15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	303.034748
ΔH_f, kcal/mol:	-83.27
Dipole, Da:	7.73
IP(EA), eV:	-8.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NC2CCSC2)[N+](=O)[O-])N

DOS

IR

Vibrations