Geometry & MOs

Info

ID:	83559
PubChem CID:	49857892
Reduced:	N3O6C12H17 (1)
Stoich.:	A3B6C12D17 (1)
Weight, g/mol:	311.111735
ΔH_f, kcal/mol:	-148.31
Dipole, Da:	6.55
IP(EA), eV:	-8.67(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3E)-5-methyl-3-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazol-2-ylidene]-1,2-oxazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=C/C(=C\2/N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)/NO1

DOS

IR

Vibrations