Geometry & MOs

Info

ID:	143022
PubChem CID:	53133856
Reduced:	ClSN3O4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	409.130553
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	4.62
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NC(=NO2)CCS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations