Geometry & MOs

Info

ID:

51516

PubChem CID:

12014195

Reduced:

NO2H13C19 (2)

Stoich.:

AB2C13D19 (2)

Weight, g/mol:

510.179087

ΔHf, kcal/mol:

-40.28

Dipole, Da:

0.33

IP(EA), eV:

 -8.86(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-(13-cyclohexyl-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=C5C(=CC=C6C5=C(C=C4)C(=O)N(C6=O)[C@H](C)C7=CC=CC8=CC=CC=C87)C3=O

DOS

IR

Vibrations