Geometry & MOs

Info

ID:	3126
PubChem CID:	9187
Reduced:	SH10C16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	234.050321
ΔH_f, kcal/mol:	76.11
Dipole, Da:	0.77
IP(EA), eV:	-8.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphtho[2,3-e][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CS4

DOS

IR

Vibrations