Geometry & MOs

Info

ID:

437169

PubChem CID:

135215469

Reduced:

ClN3O3C14H16 (1)

Stoich.:

AB3C3D14E16 (1)

Weight, g/mol:

450.193691

ΔHf, kcal/mol:

-15.18

Dipole, Da:

4.29

IP(EA), eV:

 -9.58(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(5R)-5-[(1S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4,5-dihydro-1,2-oxazol-3-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

C1C[C@H](N2C[C@H]1N(C2=O)OCC3=CC=CC=C3)/C(=N\O)/Cl

DOS

IR

Vibrations