Geometry & MOs

Info

ID:

440048

PubChem CID:

135229933

Reduced:

NO2H41C70 (1)

Stoich.:

AB2C41D70 (1)

Weight, g/mol:

1329.019224

ΔHf, kcal/mol:

245.1

Dipole, Da:

1.31

IP(EA), eV:

 -8.11(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-5-methoxy-4-[8-(3-octyloxiran-2-yl)octanoyloxy]-3-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-5-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxymethyl]oxolan-2-yl]methyl octadecanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=C(C7=CC=CC=C57)C(=CC=C6)N(C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C=CC1=CC=CC=C14

DOS

IR

Vibrations