Geometry & MOs

Info

ID:	406937
PubChem CID:	135078954
Reduced:	ClOSN3H10C11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	301.049668
ΔH_f, kcal/mol:	11.37
Dipole, Da:	5.1
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)NC(=S)C(C#N)C(=O)N

DOS

IR

Vibrations