Geometry & MOs

Info

ID:

51517

PubChem CID:

12014196

Reduced:

NO3H13C15 (2)

Stoich.:

AB3C13D15 (2)

Weight, g/mol:

510.179087

ΔHf, kcal/mol:

-193.51

Dipole, Da:

2.17

IP(EA), eV:

 -10.12(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-(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)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)C6CCCCC6)C2=O

DOS

IR

Vibrations