Geometry & MOs

Info

ID:	142742
PubChem CID:	53084349
Reduced:	SO3N5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	431.108582
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	5.28
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2(CN3C=NC(=C3C(=O)N2C4CC4)C(=O)NCCC5=CC=CS5)C

DOS

IR

Vibrations