Geometry & MOs

Info

ID:	204929
PubChem CID:	80033438
Reduced:	S2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	330.034414
ΔH_f, kcal/mol:	-0.14
Dipole, Da:	1.96
IP(EA), eV:	-8.73(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-1,1-dioxo-2-[2-(sulfanylmethyl)butyl]-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)CSCC(CS)C2=CC=CC=C2

DOS

IR

Vibrations