Geometry & MOs

Info

ID:

220079

PubChem CID:

85165218

Reduced:

O16C29H42 (1)

Stoich.:

A16B29C42 (1)

Weight, g/mol:

646.258519

ΔHf, kcal/mol:

-730.62

Dipole, Da:

4.79

IP(EA), eV:

 -9.35(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-3-yl]amino]-2,3,4-triacetyloxycyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C2C(CC(C2(COC(=O)C)O)OC(=O)C)C(=CO1)COC3C(C(C(C(O3)CO)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations