Geometry & MOs

Info

ID:	150662
PubChem CID:	53790356
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	258.087866
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 5-oxo-3,6-dihydropyrazolo[1,5-c]quinazolin-4-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)C)N=C(N2)SCC3=NC=CC4=C3OCO4

DOS

IR

Vibrations