Geometry & MOs

Info

ID:	373129
PubChem CID:	131310443
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	5.03
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-methylsulfonylbenzoyl cyanide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)C(=CN2)C(=O)OC)C

DOS

IR

Vibrations