Geometry & MOs

Info

ID:	278499
PubChem CID:	103836313
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	4.21
IP(EA), eV:	-10.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(4-hydroxy-2-methylbutyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC=CC=C1C(=O)OC)C#N

DOS

IR

Vibrations