Geometry & MOs

Info

ID:

51514

PubChem CID:

12014193

Reduced:

NO4H13C17 (2)

Stoich.:

AB4C13D17 (2)

Weight, g/mol:

590.168916

ΔHf, kcal/mol:

-242.61

Dipole, Da:

2.4

IP(EA), eV:

 -10.12(-2.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[13-[(2R)-2-benzoyloxypropyl]-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]propan-2-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H](COC(=O)C1=CC=CC=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)[C@H](C)COC(=O)C6=CC=CC=C6)C2=O

DOS

IR

Vibrations