Geometry & MOs

Info

ID:

44632

PubChem CID:

10504554

Reduced:

O3N4C28H30 (1)

Stoich.:

A3B4C28D30 (1)

Weight, g/mol:

470.187543

ΔHf, kcal/mol:

-45.72

Dipole, Da:

5.53

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5R)-2-benzyl-3-(furan-2-yl)-1,2-oxazolidin-5-yl]-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC=C(C=C2)CC(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5

DOS

IR

Vibrations