Geometry & MOs

Info

ID:	391278
PubChem CID:	135004080
Reduced:	O4F5Cl7C15H16 (1)
Stoich.:	A4B5C7D15E16 (1)
Weight, g/mol:	387.95803
ΔH_f, kcal/mol:	-516.99
Dipole, Da:	6.6
IP(EA), eV:	-10.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromophenyl)-2,2-difluoroethenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)OCC(CC(C(C(C(C(CC(COC(=O)C)Cl)(Cl)Cl)(F)F)(F)Cl)(F)F)(Cl)Cl)Cl

DOS

IR

Vibrations