Geometry & MOs

Info

ID:	301931
PubChem CID:	123100870
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-196.72
Dipole, Da:	5.96
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(2-oxo-2-piperidin-1-ylethyl)sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)CS(=O)CC(=O)N1CCCCC1

DOS

IR

Vibrations