Geometry & MOs

Info

ID:	13050
PubChem CID:	220377
Reduced:	SO3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	184.019415
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	5.08
IP(EA), eV:	-10.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonylbenzaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1C=O

DOS

IR

Vibrations