Geometry & MOs

Info

ID:	49230
PubChem CID:	11532127
Reduced:	SF2O2N3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	433.261694
ΔH_f, kcal/mol:	-110.59
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCO[C@@H](C)C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3

DOS

IR

Vibrations