Geometry & MOs

Info

ID:	53040
PubChem CID:	14709449
Reduced:	OSH10C16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	264.024501
ΔH_f, kcal/mol:	21.8
Dipole, Da:	1.83
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphtho[8,7-b][1]benzothiole-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=C(C=C4)O

DOS

IR

Vibrations