Geometry & MOs

Info

ID:	338982
PubChem CID:	127259993
Reduced:	BrSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	368.00818
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	6.59
IP(EA), eV:	-10.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-methylpropyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCC(CC(CC)Br)COS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations