Geometry & MOs

Info

ID:	168323
PubChem CID:	74951505
Reduced:	NSO10C21H25 (1)
Stoich.:	ABC10D21E25 (1)
Weight, g/mol:	332.27153
ΔH_f, kcal/mol:	-405.02
Dipole, Da:	5.48
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

docosa-2,5,8,16-tetraenoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)NC(=S)OC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations