Geometry & MOs

Info

ID:	141925
PubChem CID:	52953550
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	524.25696
ΔH_f, kcal/mol:	-122.72
Dipole, Da:	1.91
IP(EA), eV:	-8.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-3a,4-dihydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N2C(=O)C3CCC4C5C3C(C2=O)CCC5C(=O)N(C4=O)C6=CC=C(C=C6)N(C)C

DOS

IR

Vibrations