Geometry & MOs

Info

ID:	413017
PubChem CID:	135085961
Reduced:	NF2H5C9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	310.047522
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	4.24
IP(EA), eV:	-10.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2-difluoroethenyl)phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)C=C(F)F

DOS

IR

Vibrations