Geometry & MOs

Info

ID:	288576
PubChem CID:	104320038
Reduced:	BrClSN2O3C12H14 (1)
Stoich.:	ABCD2E3F12G14 (1)
Weight, g/mol:	285.083493
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	4.38
IP(EA), eV:	-9.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)C3=C(N=CC(=C3)Br)Cl)O

DOS

IR

Vibrations