Geometry & MOs

Info

ID:	399527
PubChem CID:	135040765
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	3.73
IP(EA), eV:	-9.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-methylphenyl)sulfonylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C[C@H]1CCC[C@H]1C(=O)C2=CC=CC=C2

DOS

IR

Vibrations