Geometry & MOs

Info

ID:

237723

PubChem CID:

92721076

Reduced:

F2O2N4H20C27 (1)

Stoich.:

A2B2C4D20E27 (1)

Weight, g/mol:

452.184841

ΔHf, kcal/mol:

-67.69

Dipole, Da:

6.44

IP(EA), eV:

 -8.54(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-12,14-dimethyl-9-(5-methylfuran-2-yl)-17-(4-methylphenyl)-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

CN1C2=C3[C@@H](NC4=CC=CC=C4N3C(=C2C(=O)N(C1=O)C)C5=CC=CC=C5)C6=C(C(=CC=C6)F)F

DOS

IR

Vibrations