Geometry & MOs

Info

ID:	83530
PubChem CID:	49857709
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	10.42
IP(EA), eV:	-9.04(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=C/C(=C\3/N=CC(=N3)[C@H]([C@@H]([C@@H](CO)O)O)O)/NO2

DOS

IR

Vibrations