Geometry & MOs

Info

ID:	175723
PubChem CID:	75941821
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	421.06888
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	8.18
IP(EA), eV:	-9.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-fluorophenoxy)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C1CCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations