Geometry & MOs

Info

ID:

128729

PubChem CID:

51055808

Reduced:

N3O13H33C40 (1)

Stoich.:

A3B13C33D40 (1)

Weight, g/mol:

554.172287

ΔHf, kcal/mol:

-361.29

Dipole, Da:

5.29

IP(EA), eV:

 -9.82(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-4,5-dibenzamido-3-hydroxy-6-methoxyoxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)C[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(=O)OC

DOS

IR

Vibrations