Geometry & MOs

Info

ID:	177334
PubChem CID:	76168811
Reduced:	FO4N5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	445.246438
ΔH_f, kcal/mol:	-170.3
Dipole, Da:	8.48
IP(EA), eV:	-9.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 1-O-methyl 2-[3-hydroxytetradeca-2,4,6,8,10,12-hexaenoyl(methyl)amino]pentanedioate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2NC(C(C(=O)N2)O)C(=O)NCC3=CC=C(C=C3)F)NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations