Geometry & MOs

Info

ID:	20763
PubChem CID:	585576
Reduced:	SO3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	3.95
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3-(4-methoxyphenyl)-3H-2-benzothiophen-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)OC)C(=O)S2

DOS

IR

Vibrations