Geometry & MOs

Info

ID:	426968
PubChem CID:	135154765
Reduced:	N2S2O5C31H38 (1)
Stoich.:	A2B2C5D31E38 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	3.57
IP(EA), eV:	-9.47(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethenyl-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)S(=O)(=O)C3=CC4=C(C=C3)C5=C(C4=O)C=C(C=C5)S(=O)(=O)N6CCC7CCCCC7C6

DOS

IR

Vibrations