Geometry & MOs

Info

ID:	317899
PubChem CID:	126647236
Reduced:	FO6N8C47H47 (1)
Stoich.:	AB6C8D47E47 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	3.74
IP(EA), eV:	-8.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenal

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCCC1C2=NC=C(N2)C3=CC(=C(C(=C3)F)C#CC#CC4=CN=C(N4)C5CCCN5C(=O)C(C6=CC=CC=C6)NC(=O)OC)C7=CC=CC=C7)NC(=O)OC

DOS

IR

Vibrations