Geometry & MOs

Info

ID:	53038
PubChem CID:	14709445
Reduced:	OSH12C17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	264.060886
ΔH_f, kcal/mol:	26.98
Dipole, Da:	1.99
IP(EA), eV:	-8.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxynaphtho[1,2-b][1]benzothiole

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=CC3=C2SC4=CC=CC=C34

DOS

IR

Vibrations