Geometry & MOs

Info

ID:	183238
PubChem CID:	76995788
Reduced:	FOCl2N2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	4.08
IP(EA), eV:	-10.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3,4-dimethylphenyl)sulfanylmethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)C2=C(C=C(C=C2)F)Cl)CCl

DOS

IR

Vibrations