Geometry & MOs

Info

ID:	298313
PubChem CID:	117648293
Reduced:	FO2S2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	416.05523
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	2.38
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylprop-2-enoylsulfanyl)phenyl] 3-fluoro-4-(2-methylprop-2-enoylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)SC(=O)C(=C)C)F

DOS

IR

Vibrations