Geometry & MOs

Info

ID:	407060
PubChem CID:	135079224
Reduced:	FSN3O3H10C12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	316.010011
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	6.43
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-fluoro-5-sulfamoylanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations