Geometry & MOs

Info

ID:	17037
PubChem CID:	482698
Reduced:	SO2H10C14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	242.040151
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	4.9
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzothiophen-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C3(C=CC(=O)C=C3)O

DOS

IR

Vibrations