Geometry & MOs

Info

ID:	263942
PubChem CID:	103409265
Reduced:	BrClSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	399.97469
ΔH_f, kcal/mol:	-189.74
Dipole, Da:	7.23
IP(EA), eV:	-9.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[3-(2-methoxyethoxy)propoxy]-3-methylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl

DOS

IR

Vibrations