Geometry & MOs

Info

ID:

297135

PubChem CID:

117610112

Reduced:

F3O3N5C26H26 (1)

Stoich.:

A3B3C5D26E26 (1)

Weight, g/mol:

465.212452

ΔHf, kcal/mol:

-192.12

Dipole, Da:

2.66

IP(EA), eV:

 -8.55(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridin-3-yl]ethyl]-5'-methyl-1'-(5-oxo-2H-furan-3-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=NC(=C3)N4CC(C4)O)N5CCOCC5

DOS

IR

Vibrations