Geometry & MOs

Info

ID:

127636

PubChem CID:

51009483

Reduced:

NCl4O4H17C24 (1)

Stoich.:

AB4C4D17E24 (1)

Weight, g/mol:

524.988219

ΔHf, kcal/mol:

10.0

Dipole, Da:

5.55

IP(EA), eV:

 -9.04(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,10R)-3,4,5,6-tetrachloro-1-methoxy-10-(2-methoxyphenyl)-11-phenyl-12-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2[C@H]3C(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)[C@](N2C5=CC=CC=C5)(O3)OC

DOS

IR

Vibrations