Geometry & MOs

Info

ID:	406936
PubChem CID:	135078953
Reduced:	ClNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	267.023311
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	5.87
IP(EA), eV:	-9.42(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C(=N2)Cl

DOS

IR

Vibrations