Geometry & MOs

Info

ID:	249483
PubChem CID:	103089871
Reduced:	FNSO2Cl3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	402.92115
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	3.22
IP(EA), eV:	-10.18(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(CC1Cl)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)C

DOS

IR

Vibrations