Geometry & MOs

Info

ID:	207500
PubChem CID:	80404903
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	6.66
IP(EA), eV:	-9.04(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-fluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(SC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations