Geometry & MOs

Info

ID:

44783

PubChem CID:

10505940

Reduced:

O3C34H56 (1)

Stoich.:

A3B34C56 (1)

Weight, g/mol:

511.09137

ΔHf, kcal/mol:

-209.75

Dipole, Da:

1.88

IP(EA), eV:

 -8.99(0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-3-[(3R)-5-bromo-3-(4-chlorophenyl)pentyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

Drug info:

PubChemData

Smile

CCO[C@@H]1C=C2[C@@H]3[C@H]([C@@H](CC[C@@]3(CC[C@]2([C@]4([C@H]1[C@]5(CC[C@@H](C([C@@H]5CC4)(C)C)OC(=O)C)C)C)C)C)C)C

DOS

IR

Vibrations