Geometry & MOs

Info

ID:

304933

PubChem CID:

124766327

Reduced:

FN3O4H24C29 (1)

Stoich.:

AB3C4D24E29 (1)

Weight, g/mol:

497.175084

ΔHf, kcal/mol:

-83.56

Dipole, Da:

5.66

IP(EA), eV:

 -8.77(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5R,6S,7R)-2-N-benzyl-6-N-(2-fluorophenyl)-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@@H]2[C@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5=CC=CC=C5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations