Geometry & MOs

Info

ID:

83003

PubChem CID:

49856975

Reduced:

SN3O6H25C26 (1)

Stoich.:

AB3C6D25E26 (1)

Weight, g/mol:

1273.161018

ΔHf, kcal/mol:

-168.93

Dipole, Da:

8.63

IP(EA), eV:

 -9.19(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2S,3R)-2-[18-[18-[[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-18-oxooctadecoxy]octadecanoylamino]-3-hydroxyoctadec-4-enyl] 2,6-diaminohexanoate

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N(CC(=O)C3=CC(=C(C=C3)O)C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations