Geometry & MOs

Info

ID:

326474

PubChem CID:

126687639

Reduced:

N2O7C30H46 (1)

Stoich.:

A2B7C30D46 (1)

Weight, g/mol:

546.330502

ΔHf, kcal/mol:

-286.65

Dipole, Da:

5.21

IP(EA), eV:

-9.56(0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-oxo-2-[[(2R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]ethyl]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)NCC(=O)NC1C(C(C(OC1O)CO)O)O

DOS

IR

Vibrations