Geometry & MOs

Info

ID:	249470
PubChem CID:	103089710
Reduced:	OSF2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	416.9368
ΔH_f, kcal/mol:	-128.78
Dipole, Da:	2.53
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopropyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CSCCCC(C1=CC(=C(C=C1)F)F)O

DOS

IR

Vibrations