Geometry & MOs

Info

ID:	121886
PubChem CID:	50785280
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	44.12
Dipole, Da:	5.13
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(6-cyclohexylsulfanyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)N3C(=N2)C=CC(=N3)SC4=CC=CC=C4)C

DOS

IR

Vibrations