Geometry & MOs

Info

ID:

214767

PubChem CID:

85083606

Reduced:

O5C17H18 (2)

Stoich.:

A5B17C18 (2)

Weight, g/mol:

604.257337

ΔHf, kcal/mol:

-295.47

Dipole, Da:

7.81

IP(EA), eV:

 -10.25(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-4-[5-(1-benzyl-4-oxo-3-phenoxyazetidin-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenoxyazetidin-2-one

Drug info:

PubChemData

Smile

CC1C(C2(C3C4C1(C5(C=CC(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(C)C)OC(=O)C8=CC=CC=C8

DOS

IR

Vibrations