Geometry & MOs

Info

ID:

173188

PubChem CID:

75608081

Reduced:

N3O13H33C40 (1)

Stoich.:

A3B13C33D40 (1)

Weight, g/mol:

1110.494166

ΔHf, kcal/mol:

-352.1

Dipole, Da:

7.22

IP(EA), eV:

 -10.04(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,7-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyethyl]amino]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)OC

DOS

IR

Vibrations