Geometry & MOs

Info

ID:

173185

PubChem CID:

75608078

Reduced:

N4O18C33H48 (1)

Stoich.:

A4B18C33D48 (1)

Weight, g/mol:

843.37226

ΔHf, kcal/mol:

-655.16

Dipole, Da:

12.91

IP(EA), eV:

 -9.22(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC1(OC2C(C(OC2O1)C(CN(CC(C3C(C4C(O3)OC(O4)(C)C)O)O)CC(C5C(C6C(O5)OC(O6)(C)C)O)O)O)NC7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations