Geometry & MOs

Info

ID:

378400

PubChem CID:

134224480

Reduced:

FN3O5C36H40 (1)

Stoich.:

AB3C5D36E40 (1)

Weight, g/mol:

625.331585

ΔHf, kcal/mol:

-182.82

Dipole, Da:

6.98

IP(EA), eV:

 -8.42(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(diethylamino)-2-(4-fluorophenyl)-5-[3-[[(3S)-5-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)N[C@H]5CCCCC5(C=O)OCC

DOS

IR

Vibrations