Geometry & MOs

Info

ID:	208788
PubChem CID:	80586325
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	318.034414
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	3.69
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-nitro-N-(thiolan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=NC(=C1)NCC2CCCS2

DOS

IR

Vibrations