Geometry & MOs

Info

ID:	180477
PubChem CID:	76639408
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	340.168602
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	3.66
IP(EA), eV:	-9.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-fluoro-5,6,15-trihydroxyoctadeca-7,9,11-trien-13-ynoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C(=C(C1=CC=C(C=C1)Cl)O)C(C)(C)C

DOS

IR

Vibrations