Geometry & MOs

Info

ID:	9829
PubChem CID:	93582
Reduced:	SO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	6.87
IP(EA), eV:	-10.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(benzenesulfonyl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CCC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations