Geometry & MOs

Info

ID:	340309
PubChem CID:	127262320
Reduced:	SO4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	238.076057
ΔH_f, kcal/mol:	-140.64
Dipole, Da:	6.24
IP(EA), eV:	-10.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)ethyl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CC(OC(=O)C1CCC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations