Geometry & MOs

Info

ID:	280641
PubChem CID:	103850438
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	266.075885
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	6.26
IP(EA), eV:	-10.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)CC#N)O

DOS

IR

Vibrations