Geometry & MOs

Info

ID:	337872
PubChem CID:	127258495
Reduced:	ClFSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	2.04
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanophenyl)-2-ethyl-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCC(F)SC1=CC=C(C=C1)Cl

DOS

IR

Vibrations