Geometry & MOs

Info

ID:	303595
PubChem CID:	124489943
Reduced:	O8C15H18 (1)
Stoich.:	A8B15C18 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-313.35
Dipole, Da:	5.52
IP(EA), eV:	-9.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\C(=O)O)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations