Geometry & MOs

Info

ID:

307953

PubChem CID:

125310918

Reduced:

FO4N5H18C22 (1)

Stoich.:

AB4C5D18E22 (1)

Weight, g/mol:

550.258006

ΔHf, kcal/mol:

-64.28

Dipole, Da:

3.22

IP(EA), eV:

 -9.11(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(9R,10R,15S)-12,14-dioxo-10-(4-propan-2-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CCC(=O)NC5=NNN=N5

DOS

IR

Vibrations