Geometry & MOs

Info

ID:	68098
PubChem CID:	46507748
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	324.008389
ΔH_f, kcal/mol:	7.09
Dipole, Da:	4.64
IP(EA), eV:	-8.64(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methylsulfonyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)C2=CC3=C(C(=NC=C3CO)C)OC2=N

DOS

IR

Vibrations