Geometry & MOs

Info

ID:	339053
PubChem CID:	127260064
Reduced:	BrNSO3H8C11 (1)
Stoich.:	ABCD3E8F11 (1)
Weight, g/mol:	318.032872
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	4.6
IP(EA), eV:	-9.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-5,5-dimethyl-2-oxooxolan-3-yl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=NC=CC(=C2)Br

DOS

IR

Vibrations