Geometry & MOs

Info

ID:	142744
PubChem CID:	53084507
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	429.102624
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	3.09
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCC(=O)N1CCN(CC1)C2=NC3=C(S2)N=CC=C3

DOS

IR

Vibrations