Geometry & MOs

Info

ID:

449225

PubChem CID:

135296977

Reduced:

ClN2O6C24H29 (1)

Stoich.:

AB2C6D24E29 (1)

Weight, g/mol:

392.118378

ΔHf, kcal/mol:

-197.33

Dipole, Da:

12.56

IP(EA), eV:

 -9.51(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-(difluoromethoxy)-9-hydroxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)Cl)OCCCOC4COC4

DOS

IR

Vibrations