Geometry & MOs

Info

ID:	3135
PubChem CID:	9203
Reduced:	SH10C16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	234.050321
ΔH_f, kcal/mol:	67.38
Dipole, Da:	1.36
IP(EA), eV:	-8.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4S3

DOS

IR

Vibrations