Geometry & MOs

Info

ID:	307661
PubChem CID:	125307944
Reduced:	ClS2N3O5H20C21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	208.033151
ΔH_f, kcal/mol:	-117.38
Dipole, Da:	12.51
IP(EA), eV:	-8.25(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-5-(hydroxymethyl)-2,3-dinitrosooxolane-2,3,4-triol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)[C@H]2C=NC(=NC2=O)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations