Geometry & MOs

Info

ID:	337259
PubChem CID:	127256941
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	287.034018
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	3.3
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-oxo-N-[4-(trifluoromethylsulfanyl)anilino]propanimidoyl cyanide

Drug info:

PubChemData

Smile

C1C(CO1)COC(=O)C2=CC=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations