Geometry & MOs

Info

ID:	280658
PubChem CID:	103850534
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	6.34
IP(EA), eV:	-10.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCCC1)CNS(=O)(=O)CC#N

DOS

IR

Vibrations