Geometry & MOs

Info

ID:

237722

PubChem CID:

92721073

Reduced:

O3N4H26C29 (1)

Stoich.:

A3B4C26D29 (1)

Weight, g/mol:

470.155432

ΔHf, kcal/mol:

-25.44

Dipole, Da:

8.35

IP(EA), eV:

 -8.28(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-9-(2,3-difluorophenyl)-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=CC=C1[C@H]2C3=C4C(=C(N3C5=CC=CC=C5N2)C6=CC=CC=C6)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations