Geometry & MOs

Info

ID:

438894

PubChem CID:

135228654

Reduced:

FN2O4C27H29 (1)

Stoich.:

AB2C4D27E29 (1)

Weight, g/mol:

502.258006

ΔHf, kcal/mol:

-166.56

Dipole, Da:

3.0

IP(EA), eV:

 -9.23(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-tert-butyl-4-methoxy-5-(6-piperazin-1-ylpyridin-3-yl)-14-oxa-10-azatetracyclo[8.6.0.02,7.013,15]hexadeca-1(16),2,4,6,11-pentaene-12-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4C)F)C(C)(C)C

DOS

IR

Vibrations