Geometry & MOs

Info

ID:

399722

PubChem CID:

135042056

Reduced:

SO2H5C6 (1)

Stoich.:

AB2C5D6 (1)

Weight, g/mol:

184.088815

ΔHf, kcal/mol:

0.99

Dipole, Da:

2.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.879832

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-7-phenylbicyclo[3.2.0]hept-2-en-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=[C+]1)S(=O)O

DOS

IR

Vibrations