Geometry & MOs

Info

ID:

15584

PubChem CID:

444973

Reduced:

N2O7C36H38 (1)

Stoich.:

A2B7C36D38 (1)

Weight, g/mol:

610.267902

ΔHf, kcal/mol:

-213.18

Dipole, Da:

5.04

IP(EA), eV:

 -9.39(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-N-benzyl-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(phenylmethoxy)hexanediamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)NCC3=CC=CC=C3)OCC4=CC=CC=C4)O)O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations