Geometry & MOs

Info

ID:

83119

PubChem CID:

49857170

Reduced:

ON7C25H27 (1)

Stoich.:

AB7C25D27 (1)

Weight, g/mol:

1389.135591

ΔHf, kcal/mol:

63.59

Dipole, Da:

4.15

IP(EA), eV:

 -8.36(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[(E,2S,3R)-2-[18-[18-[[(E,2S,3R)-1-(2-amino-3-carboxypropanoyl)oxy-3-hydroxyoctadec-4-en-2-yl]amino]-18-oxooctadecoxy]octadecanoylamino]-3-hydroxyoctadec-4-enoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)NN=C5NC(=O)[C@@H]6CCCN6

DOS

IR

Vibrations