Geometry & MOs

Info

ID:	279715
PubChem CID:	103844804
Reduced:	NSO4C12H25 (1)
Stoich.:	ABC4D12E25 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-201.89
Dipole, Da:	3.24
IP(EA), eV:	-9.84(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1CCOCC1)CO

DOS

IR

Vibrations