Geometry & MOs

Info

ID:	372846
PubChem CID:	131305880
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	257.027728
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	2.4
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyano-2-methylpropyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CSC2=CC(=CC(=C12)C(=O)OC)C=O

DOS

IR

Vibrations