Geometry & MOs

Info

ID:

219318

PubChem CID:

85098732

Reduced:

O6N7C45H51 (1)

Stoich.:

A6B7C45D51 (1)

Weight, g/mol:

787.559833

ΔHf, kcal/mol:

-117.0

Dipole, Da:

8.51

IP(EA), eV:

 -8.53(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[amino-(3,4,5-trihydroxy-6-methyloxan-2-yl)methoxy]-2-octadeca-9,12,15-trienoyloxypropyl] octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC4=CNC5=CC=CC=C54)CC6=CC=C(C=C6)O

DOS

IR

Vibrations