Geometry & MOs

Info

ID:	133416
PubChem CID:	51524396
Reduced:	S2N3O5H16C22 (1)
Stoich.:	A2B3C5D16E22 (1)
Weight, g/mol:	272.082387
ΔH_f, kcal/mol:	-61.14
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122935
Charge, e:	-1

Chem-info

IUPAC name:

N-oxido-3-phenylindeno[1,2-c]pyridazin-5-imine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)N=C(C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)[O-]

DOS

IR

Vibrations