Geometry & MOs

Info

ID:	280646
PubChem CID:	103850454
Reduced:	N2O2S2C9H16 (1)
Stoich.:	A2B2C2D9E16 (1)
Weight, g/mol:	246.04967
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	2.54
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-prop-2-ynylsulfanylethyl)propane-1-sulfonamide

Drug info:

PubChemData

Smile

CSC1CCCCC1NS(=O)(=O)CC#N

DOS

IR

Vibrations