Geometry & MOs

Info

ID:

128728

PubChem CID:

51055807

Reduced:

N6O9H34C40 (1)

Stoich.:

A6B9C34D40 (1)

Weight, g/mol:

763.201338

ΔHf, kcal/mol:

-152.17

Dipole, Da:

11.67

IP(EA), eV:

 -9.44(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl]triazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)/C=N\C1=C(N=NN1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](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#N

DOS

IR

Vibrations