Geometry & MOs

Info

ID:

220023

PubChem CID:

85165155

Reduced:

Cl2O4N5C33H33 (1)

Stoich.:

A2B4C5D33E33 (1)

Weight, g/mol:

634.267902

ΔHf, kcal/mol:

-123.3

Dipole, Da:

7.5

IP(EA), eV:

 -8.46(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,8-bis(1,3-benzodioxol-5-ylmethyl)-5,7-dibenzyl-2,2-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one

Drug info:

PubChemData

Smile

C1CC(=O)NC(C(=O)NC(C(=O)NC(CNC1=O)CC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations