Geometry & MOs

Info

ID:	9139
PubChem CID:	86450
Reduced:	BrSO4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	317.95614
ΔH_f, kcal/mol:	-118.41
Dipole, Da:	5.06
IP(EA), eV:	-10.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-bromophenyl)sulfonylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations