Geometry & MOs

Info

ID:	407293
PubChem CID:	135079758
Reduced:	ClOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	366.006817
ΔH_f, kcal/mol:	21.88
Dipole, Da:	3.78
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[3-sulfamoyl-5-(trifluoromethyl)anilino]-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations