Geometry & MOs

Info

ID:

45175

PubChem CID:

10508748

Reduced:

O4C21H24 (2)

Stoich.:

A4B21C24 (2)

Weight, g/mol:

681.359798

ΔHf, kcal/mol:

-184.24

Dipole, Da:

5.39

IP(EA), eV:

 -8.83(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6R)-1,5-dibenzyl-2,4-bis[(3-methoxyphenyl)methyl]-6-(2-trimethylsilylethoxymethoxy)-1,2,4-triazepan-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations