Geometry & MOs

Info

ID:	338990
PubChem CID:	127260001
Reduced:	BrNSO4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	359.92226
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	6.63
IP(EA), eV:	-9.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

C1[C@H](NCC1Br)C(=O)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations