Geometry & MOs

Info

ID:	53039
PubChem CID:	14709447
Reduced:	OSH12C17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	250.045236
ΔH_f, kcal/mol:	27.2
Dipole, Da:	2.45
IP(EA), eV:	-8.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphtho[1,2-b][1]benzothiol-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC3=C2SC4=CC=CC=C34

DOS

IR

Vibrations