Geometry & MOs

Info

ID:

51515

PubChem CID:

12014194

Reduced:

NO4H13C17 (2)

Stoich.:

AB4C13D17 (2)

Weight, g/mol:

574.189257

ΔHf, kcal/mol:

-243.52

Dipole, Da:

1.12

IP(EA), eV:

 -10.05(-2.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,13-bis[(1R)-1-naphthalen-1-ylethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)C[C@@H](C)OC(=O)C5=CC=CC=C5)C1=O)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations