Geometry & MOs

Info

ID:	407291
PubChem CID:	135079756
Reduced:	NaSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	237.037211
ΔH_f, kcal/mol:	-163.54
Dipole, Da:	9.42
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-fluoroanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=O)N2CCCC2.[Na+]

DOS

IR

Vibrations