Geometry & MOs

Info

ID:	249468
PubChem CID:	103089698
Reduced:	FOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	388.9055
ΔH_f, kcal/mol:	-101.13
Dipole, Da:	2.68
IP(EA), eV:	-8.57(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CC(CCCSC)O

DOS

IR

Vibrations