Geometry & MOs

Info

ID:	298509
PubChem CID:	117650417
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	466.052036
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	4.79
IP(EA), eV:	-8.79(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=O)C(=O)C=C2

DOS

IR

Vibrations