Geometry & MOs

Info

ID:

392369

PubChem CID:

135014792

Reduced:

ON4C61H86 (1)

Stoich.:

AB4C61D86 (1)

Weight, g/mol:

1143.701078

ΔHf, kcal/mol:

26.99

Dipole, Da:

6.3

IP(EA), eV:

 -7.97(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-tribenzoyloxy-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)C(=O)C)N2

DOS

IR

Vibrations