Geometry & MOs

Info

ID:	228716
PubChem CID:	87565602
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	256.055858
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	0.85
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5,5-trifluoro-4-oxopentan-2-yl)butanedioic acid

Drug info:

PubChemData

Smile

CN(CCCN(CC=C)CC=C)CC(=O)S

DOS

IR

Vibrations