Geometry & MOs

Info

ID:	318374
PubChem CID:	126650931
Reduced:	ClO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	2.3
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R,7E,9E,11E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=NC(=CC=C2)OC)OCC3=NNC(=O)N3C

DOS

IR

Vibrations