Geometry & MOs

Info

ID:	407297
PubChem CID:	135079762
Reduced:	ClSN3O3H10C12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	331.98046
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	6.51
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations