Geometry & MOs

Info

ID:

447393

PubChem CID:

135282565

Reduced:

Cl2O3N4C29H32 (1)

Stoich.:

A2B3C4D29E32 (1)

Weight, g/mol:

554.185146

ΔHf, kcal/mol:

-65.77

Dipole, Da:

6.43

IP(EA), eV:

 -8.67(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-6-[1-(1,4-diazepan-1-yl)-2-hydroxypropan-2-yl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)(C2=CC3=C(C=C2)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations