Geometry & MOs

Info

ID:	245522
PubChem CID:	99453660
Reduced:	ClN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	422.106706
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	5.93
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations