Geometry & MOs

Info

ID:

448325

PubChem CID:

135290139

Reduced:

N2O7C25H30 (1)

Stoich.:

A2B7C25D30 (1)

Weight, g/mol:

500.155906

ΔHf, kcal/mol:

-222.44

Dipole, Da:

16.11

IP(EA), eV:

 -9.22(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCOC1=CC2=C(C=C1COC)C3=CC(=O)C(=CN3N4[C@@H]2COCC45CCC5)C(=O)O

DOS

IR

Vibrations