Geometry & MOs

Info

ID:	338889
PubChem CID:	127259900
Reduced:	O3H28C32 (1)
Stoich.:	A3B28C32 (1)
Weight, g/mol:	339.97688
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	4.12
IP(EA), eV:	-8.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-bromo-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC1=C2C=CC=CC2=C(C3=CC=CC=C31)COC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations