Geometry & MOs

Info

ID:

237721

PubChem CID:

92721071

Reduced:

O3N4H26C29 (1)

Stoich.:

A3B4C26D29 (1)

Weight, g/mol:

478.200491

ΔHf, kcal/mol:

-25.15

Dipole, Da:

7.42

IP(EA), eV:

 -8.34(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-9-(2-ethoxyphenyl)-12,14-dimethyl-17-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H]2C3=C4C(=C(N3C5=CC=CC=C5N2)C6=CC=CC=C6)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations