Geometry & MOs

Info

ID:	433430
PubChem CID:	135173567
Reduced:	S2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-182.6
Dipole, Da:	5.83
IP(EA), eV:	-9.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(azetidine-1-carbonyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3COC3

DOS

IR

Vibrations