Geometry & MOs

Info

ID:	226955
PubChem CID:	87559200
Reduced:	SCl2H2N2C6O6 (1)
Stoich.:	AB2C2D2E6F6 (1)
Weight, g/mol:	250.178024
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	3.62
IP(EA), eV:	-11.5(-3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[3-hydroxy-3-(hydroxymethyl)pentan-2-yl]oxymethyl]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations