Geometry & MOs

Info

ID:	166489
PubChem CID:	74698490
Reduced:	ClSN4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	370.155552
ΔH_f, kcal/mol:	154.15
Dipole, Da:	7.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919833
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-methylphenyl)-3-oxo-2-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-olate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=NN2C(=NN=C2[S-])C3=CC=CC=C3Cl

DOS

IR

Vibrations