Geometry & MOs

Info

ID:	186420
PubChem CID:	77429538
Reduced:	ClS2N3O6C25H28 (1)
Stoich.:	AB2C3D6E25F28 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-208.93
Dipole, Da:	7.76
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-[2-methyl-3-(6-methylpyridin-3-yl)propyl]-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CSC(=N1)C2CCCN2C(=O)C(C(C(=O)NCC3=CC(CS3)CC4=CC=CC=C4Cl)O)O

DOS

IR

Vibrations