Geometry & MOs

Info

ID:	407295
PubChem CID:	135079760
Reduced:	S2F3N3O3H10C12 (1)
Stoich.:	A2B3C3D3E10F12 (1)
Weight, g/mol:	283.018225
ΔH_f, kcal/mol:	-212.73
Dipole, Da:	8.6
IP(EA), eV:	-9.52(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxyanilino)-2-cyano-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)NC(=S)C(C#N)C(=O)N)C(F)(F)F

DOS

IR

Vibrations