Geometry & MOs

Info

ID:	59703
PubChem CID:	24894327
Reduced:	NSO4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	449.220223
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	6.37
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-azabicyclo[2.2.1]heptan-7-yl] 2-[2-(1,3-benzodioxol-5-ylmethyl)phenyl]-2-cyclopentyl-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C(C)C)C

DOS

IR

Vibrations