Geometry & MOs

Info

ID:	83531
PubChem CID:	49857710
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	8.87
IP(EA), eV:	-9.01(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C\2/N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)/NO1

DOS

IR

Vibrations