Geometry & MOs

Info

ID:	142745
PubChem CID:	53084508
Reduced:	ClSO2N5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	443.118274
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	3.7
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=C(S2)N=CC=C3)C(=O)CCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations