Geometry & MOs

Info

ID:	338985
PubChem CID:	127259996
Reduced:	BrSO4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	363.95356
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	5.15
IP(EA), eV:	-9.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-chloro-2-bicyclo[2.2.1]heptanyl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations