Geometry & MOs

Info

ID:	133635
PubChem CID:	51567176
Reduced:	ClFNSO4C12H14 (1)
Stoich.:	ABCDE4F12G14 (1)
Weight, g/mol:	260.016359
ΔH_f, kcal/mol:	-197.29
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754095
Charge, e:	-1

Chem-info

IUPAC name:

2-[(S)-(2-carbamothioylhydrazinyl)-(furan-2-yl)methyl]sulfanylacetate

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)[O-])NS(=O)(=O)C1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations