Geometry & MOs

Info

ID:

308295

PubChem CID:

125326009

Reduced:

ClO2N3H10C13 (1)

Stoich.:

AB2C3D10E13 (1)

Weight, g/mol:

791.315305

ΔHf, kcal/mol:

11.84

Dipole, Da:

4.73

IP(EA), eV:

 -9.34(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6S)-6-[[(2R,4aS,6S,7R,8R,8aR)-2-benzyl-6,7-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-diacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=N[C@@H](ON2)C3=CNC(=O)C=C3

DOS

IR

Vibrations