Geometry & MOs

Info

ID:

128726

PubChem CID:

51055726

Reduced:

N2O4C17H22 (1)

Stoich.:

A2B4C17D22 (1)

Weight, g/mol:

1070.462866

ΔHf, kcal/mol:

-147.57

Dipole, Da:

5.71

IP(EA), eV:

 -9.04(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,4S,6R)-4,6-bis[bis[2-[(3aR,5S,6S,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]amino]cyclohexane-1,2,3-triol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2C(CC1(C)O)NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations