Geometry & MOs

Info

ID:	68112
PubChem CID:	46507769
Reduced:	SN4C7H12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	467.089954
ΔH_f, kcal/mol:	55.86
Dipole, Da:	2.14
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[6-(benzenesulfonyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)SC1=NN=C(C=C1)NN

DOS

IR

Vibrations