Geometry & MOs

Info

ID:	373243
PubChem CID:	131312150
Reduced:	ClINSF3H4O4C7 (1)
Stoich.:	ABCDE3F4G4H7 (1)
Weight, g/mol:	197.00437
ΔH_f, kcal/mol:	-262.12
Dipole, Da:	6.39
IP(EA), eV:	-9.88(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-fluoro-2-methylbenzoyl cyanide

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1OC(F)(F)F)S(=O)(=O)Cl)I

DOS

IR

Vibrations