Geometry & MOs

Info

ID:	306826
PubChem CID:	125258688
Reduced:	FSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-146.44
Dipole, Da:	6.3
IP(EA), eV:	-9.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,4S,8bR)-8-fluoro-1,2,3,3a,4,8b-hexahydroindeno[2,3-c]pyrrol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H]2[C@@H]1N(CCO2)S(=O)(=O)C3CC3)OC4=C(C=CC=N4)F

DOS

IR

Vibrations