Geometry & MOs

Info

ID:	307895
PubChem CID:	125310644
Reduced:	ClN2O2S2C7H7 (1)
Stoich.:	AB2C2D2E7F7 (1)
Weight, g/mol:	281.05105
ΔH_f, kcal/mol:	-4.92
Dipole, Da:	3.12
IP(EA), eV:	-9.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-9-methoxy-6aH-[1]benzothiolo[2,3-c]quinolin-6-one

Drug info:

PubChemData

Smile

C1C=NN=C1C2=CS[C@@H](C2)S(=O)(=O)Cl

DOS

IR

Vibrations