Geometry & MOs

Info

ID:	62777
PubChem CID:	26736747
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	451.113269
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	7.55
IP(EA), eV:	-8.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O

DOS

IR

Vibrations