Geometry & MOs

Info

ID:	21226
PubChem CID:	587715
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	6.02
IP(EA), eV:	-9.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC2C(=O)OC

DOS

IR

Vibrations