Geometry & MOs

Info

ID:	298315
PubChem CID:	117648296
Reduced:	S2F3O4H13C20 (1)
Stoich.:	A2B3C4D13E20 (1)
Weight, g/mol:	466.052036
ΔH_f, kcal/mol:	-218.91
Dipole, Da:	5.5
IP(EA), eV:	-9.31(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-(2-methylprop-2-enoylsulfanyl)-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations