Geometry & MOs

Info

ID:

326523

PubChem CID:

126687718

Reduced:

N3O8C56H85 (1)

Stoich.:

A3B8C56D85 (1)

Weight, g/mol:

927.633667

ΔHf, kcal/mol:

-305.03

Dipole, Da:

6.04

IP(EA), eV:

-9.4(0.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(5S)-5-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-6-oxo-6-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexyl]docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCCC[C@@H](C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O)NC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations