Geometry & MOs

Info

ID:	278439
PubChem CID:	103835719
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-97.3
Dipole, Da:	5.14
IP(EA), eV:	-10.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(1-hydroxypentan-3-yl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NCC(C(C)C)O

DOS

IR

Vibrations