Geometry & MOs

Info

ID:

51513

PubChem CID:

12014192

Reduced:

NO2H12C14 (2)

Stoich.:

AB2C12D14 (2)

Weight, g/mol:

590.168916

ΔHf, kcal/mol:

-93.18

Dipole, Da:

1.01

IP(EA), eV:

 -8.94(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[13-[(2R)-1-benzoyloxypropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl] benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N3C(=O)C4=C(C3=O)C=C5C(=C4)C(=O)N(C5=O)C6CCCCC6

DOS

IR

Vibrations