Geometry & MOs

Info

ID:

378396

PubChem CID:

134224476

Reduced:

FN3O4C39H44 (1)

Stoich.:

AB3C4D39E44 (1)

Weight, g/mol:

609.300285

ΔHf, kcal/mol:

-176.04

Dipole, Da:

6.04

IP(EA), eV:

 -8.71(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(diethylamino)-2-(4-fluorophenyl)-5-[3-[[(5S,7R)-3-hydroxy-1-adamantyl]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)NC(C)C56C[C@H]7C[C@@H](C5)CC(C7)(C6)O

DOS

IR

Vibrations