Geometry & MOs

Info

ID:	294520
PubChem CID:	117466338
Reduced:	ClO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	288.022308
ΔH_f, kcal/mol:	-221.13
Dipole, Da:	4.25
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-methylsulfonylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C(=C1OC)Cl)OCO2)O

DOS

IR

Vibrations