Geometry & MOs

Info

ID:	387607
PubChem CID:	134986110
Reduced:	N2O2F3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	4.05
IP(EA), eV:	-10.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-[[diethyl(imino)-lambda6-sulfanylidene]amino]but-2-enoate

Drug info:

PubChemData

Smile

CO[C@@](C1=CC=CC=C1)(/C(=C\[N+]#N)/[O-])C(F)(F)F

DOS

IR

Vibrations