Geometry & MOs

Info

ID:

427807

PubChem CID:

135163213

Reduced:

N3O4C16H23 (2)

Stoich.:

A3B4C16D23 (2)

Weight, g/mol:

545.21435

ΔHf, kcal/mol:

-327.37

Dipole, Da:

1.75

IP(EA), eV:

 -8.68(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-phenyl-9-(2-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCC(=O)NN(CC1=CC=CC=N1)CC2=CC=CC=N2)C(=O)OC

DOS

IR

Vibrations