Geometry & MOs

Info

ID:	83528
PubChem CID:	49857706
Reduced:	N3O5C10H15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-128.35
Dipole, Da:	3.17
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R)-1-[(2E)-2-(3-methyl-2H-1,2-oxazol-5-ylidene)imidazol-4-yl]butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C\1CON/C1=C/2\N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations