Geometry & MOs

Info

ID:

181702

PubChem CID:

76780247

Reduced:

NO5C40H55 (1)

Stoich.:

AB5C40D55 (1)

Weight, g/mol:

1412.830905

ΔHf, kcal/mol:

-188.71

Dipole, Da:

7.99

IP(EA), eV:

 -9.24(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[[6-[3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropylamino]-6-oxohexanoyl]amino]ethoxy-methoxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)CCC(=CCC1=C(C2=C(COC2=O)C(=C1C)C)O)C

DOS

IR

Vibrations