Geometry & MOs

Info

ID:	122898
PubChem CID:	50825951
Reduced:	SO2N6C26H36 (1)
Stoich.:	AB2C6D26E36 (1)
Weight, g/mol:	453.219846
ΔH_f, kcal/mol:	0.28
Dipole, Da:	3.38
IP(EA), eV:	-7.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(N3C(=N2)SC(=N3)N4CCN(CC4)C5CCCCC5)NC6CCCC6)O

DOS

IR

Vibrations