Geometry & MOs

Info

ID:	142743
PubChem CID:	53084485
Reduced:	S2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	8.21
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(S3)N=CC=C4

DOS

IR

Vibrations