Geometry & MOs

Info

ID:

15072

PubChem CID:

428779

Reduced:

OSH11C14 (1)

Stoich.:

ABC11D14 (1)

Weight, g/mol:

228.060886

ΔHf, kcal/mol:

6.8

Dipole, Da:

4.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756227

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-3H-2-benzothiophen-1-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)S1C3=CC=CC=C3

DOS

IR

Vibrations