Geometry & MOs

Info

ID:	391392
PubChem CID:	135004695
Reduced:	ClNO7C23H24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	324.063172
ΔH_f, kcal/mol:	-260.47
Dipole, Da:	4.51
IP(EA), eV:	-8.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-1-(2-methylphenyl)ethenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1C(=O)OCC)NC(C)(C)C)C2=COC3=C(C2=O)C=C(C=C3)Cl

DOS

IR

Vibrations