Geometry & MOs

Info

ID:	83529
PubChem CID:	49857707
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/N=CC(=N2)[C@H]([C@@H]([C@@H](CO)O)O)O)/ON1

DOS

IR

Vibrations