Geometry & MOs

Info

ID:

433837

PubChem CID:

135173980

Reduced:

ClO4N5C23H26 (1)

Stoich.:

AB4C5D23E26 (1)

Weight, g/mol:

552.140925

ΔHf, kcal/mol:

-24.42

Dipole, Da:

5.58

IP(EA), eV:

 -8.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(1S,1aR,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-phenyl-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC(C)NC1=C(C(=NC(=N1)Cl)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations