Geometry & MOs

Info

ID:	231810
PubChem CID:	87574699
Reduced:	ClFSO2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	315.033012
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	6.11
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(2,2,2-trifluoroethoxy)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C=CCC1(CC1C2=CC(=CC=C2)F)S(=O)(=O)Cl

DOS

IR

Vibrations