Geometry & MOs

Info

ID:	407168
PubChem CID:	135079492
Reduced:	OSCl2N3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	320.995045
ΔH_f, kcal/mol:	13.26
Dipole, Da:	5.19
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)NC(=S)C(C#N)C(=O)N

DOS

IR

Vibrations