Geometry & MOs

Info

ID:	402955
PubChem CID:	135058047
Reduced:	ClNO2C5H11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	488.99404
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	4.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755707
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-triacetyloxy-2-bromo-6-sulfamoyloxan-2-yl)methyl acetate

Drug info:

PubChemData

Smile

C(CC(C(=O)O)[NH3+])CCl

DOS

IR

Vibrations