Geometry & MOs

Info

ID:

84182

PubChem CID:

49864817

Reduced:

N2O17C58H90 (1)

Stoich.:

A2B17C58D90 (1)

Weight, g/mol:

477.147568

ΔHf, kcal/mol:

-643.66

Dipole, Da:

12.17

IP(EA), eV:

 -8.51(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethyl-5,6-difluoro-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-4-phenyl-3-(2,2,2-trifluoroethyl)quinazolin-2-one

Drug info:

PubChemData

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DOS

IR

Vibrations