Geometry & MOs

Info

ID:	396780
PubChem CID:	135029207
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	324.027872
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	6.37
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-2-yl)-2-hydroxy-5-phenylthiophen-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)C(O2)(C3=CC=CC=C3)O

DOS

IR

Vibrations