Geometry & MOs

Info

ID:

390299

PubChem CID:

134998360

Reduced:

Cl3N4O16C51H51 (1)

Stoich.:

A3B4C16D51E51 (1)

Weight, g/mol:

1100.463032

ΔHf, kcal/mol:

-493.07

Dipole, Da:

9.52

IP(EA), eV:

 -8.74(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(7-acetyloxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-5-azido-6-[5-[benzyl(phenylmethoxycarbonyl)amino]pentoxy]-4-phenylmethoxyoxan-2-yl]methyl 3-acetyloxypropanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)N=[N+]=[N-])OCC2=CC=CC=C2)OC3C(C(C(C(O3)C(=O)OC)OC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)OCC7=CC=CC=C7)OC(=O)C

DOS

IR

Vibrations