Geometry & MOs

Info

ID:	305177
PubChem CID:	124767376
Reduced:	S2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	284.100836
ΔH_f, kcal/mol:	-151.4
Dipole, Da:	8.16
IP(EA), eV:	-10.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-nitroanilino)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)/C=C/[C@H]1[C@@H]2C[C@@H]([C@H]1S(=O)(=O)CCCC)C=C2

DOS

IR

Vibrations