Geometry & MOs

Info

ID:	141948
PubChem CID:	52955907
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	42.41
Dipole, Da:	5.98
IP(EA), eV:	-8.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(6-methyl-7aH-1,3-benzothiazol-2-ylidene)-4-oxo-1-propylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C/C(=C\NNC2=NN3C=NNC3C4C2CCCC4)/C1=O

DOS

IR

Vibrations