Geometry & MOs

Info

ID:	142746
PubChem CID:	53084509
Reduced:	ClSO2N5C21H22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	498.160473
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	2.27
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)piperazin-1-yl]-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=C(S2)N=CC=C3)C(=O)CCC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations