Geometry & MOs

Info

ID:	278220
PubChem CID:	103834168
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	336.97836
ΔH_f, kcal/mol:	-151.6
Dipole, Da:	4.53
IP(EA), eV:	-9.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC[C@H]2CO

DOS

IR

Vibrations