Geometry & MOs

Info

ID:	396851
PubChem CID:	135029334
Reduced:	SO2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	266.094294
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	3.06
IP(EA), eV:	-8.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3S)-2-benzylidene-3-hydroxy-5-methoxy-3H-inden-1-one

Drug info:

PubChemData

Smile

CCC/C=C/1\[C@@H](C2=C(C1=O)SC3=CC=CC=C32)O

DOS

IR

Vibrations