Geometry & MOs

Info

ID:	339005
PubChem CID:	127260016
Reduced:	BrSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	312.022308
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	4.77
IP(EA), eV:	-9.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methoxyphenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COS(=O)(=O)C2=CC=CC=C2)Br

DOS

IR

Vibrations