Geometry & MOs

Info

ID:	407294
PubChem CID:	135079759
Reduced:	S2F3O3N4H9C11 (1)
Stoich.:	A2B3C3D4E9F11 (1)
Weight, g/mol:	365.011568
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	5.12
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1NC(=S)C(C#N)C(=O)N)S(=O)(=O)N)C(F)(F)F

DOS

IR

Vibrations