Geometry & MOs

Info

ID:	83527
PubChem CID:	49857705
Reduced:	N3O5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	257.101171
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	8.81
IP(EA), eV:	-8.0(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R)-1-[(2E)-2-(1,2-oxazolidin-3-ylidene)imidazol-4-yl]butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C/C(=C\1/NC=C(N1)[C@@H]2[C@H](OC(O2)(C)C)[C@H]3COC(O3)(C)C)/N=O

DOS

IR

Vibrations