Geometry & MOs

Info

ID:

326522

PubChem CID:

126687714

Reduced:

NO6C11H21 (1)

Stoich.:

AB6C11D21 (1)

Weight, g/mol:

927.633667

ΔHf, kcal/mol:

-295.83

Dipole, Da:

0.69

IP(EA), eV:

 -10.06(0.63)

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-[[(2R,5S)-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)OC(=O)NCC1C(C(C(O1)OC)O)O

DOS

IR

Vibrations