Geometry & MOs

Info

ID:	159912
PubChem CID:	57298368
Reduced:	ClNF3O5H17C19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	124.973097
ΔH_f, kcal/mol:	-266.95
Dipole, Da:	4.39
IP(EA), eV:	-10.07(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-sulfanylethanesulfinate

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations