Geometry & MOs

Info

ID:	407119
PubChem CID:	135079357
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	437.95484
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	2.86
IP(EA), eV:	-9.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-bromo-3,3,3-trifluoro-1-(3-fluorophenyl)prop-1-en-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC/C=C\COCC#CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations