Geometry & MOs

Info

ID:	433112
PubChem CID:	135173249
Reduced:	NSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-140.14
Dipole, Da:	5.19
IP(EA), eV:	-9.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azetidine-1-carbonyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=CC2=C(C=C1)C(=O)NC2

DOS

IR

Vibrations