Geometry & MOs

Info

ID:	279716
PubChem CID:	103844805
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	313.171165
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	6.22
IP(EA), eV:	-10.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-phenylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C#N)CO

DOS

IR

Vibrations