Geometry & MOs

Info

ID:	249484
PubChem CID:	103089882
Reduced:	BrFNSCl2O2C12H13 (1)
Stoich.:	ABCDE2F2G12H13 (1)
Weight, g/mol:	402.92115
ΔH_f, kcal/mol:	-123.69
Dipole, Da:	5.34
IP(EA), eV:	-9.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpyrrolidine

Drug info:

PubChemData

Smile

C1CN(CC1CCBr)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations