Geometry & MOs

Info

ID:	373955
PubChem CID:	131321687
Reduced:	ClSN2O2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	244.007326
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	4.66
IP(EA), eV:	-10.22(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-6-cyano-4-methylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C#N)CN)S(=O)(=O)Cl

DOS

IR

Vibrations