Geometry & MOs

Info

ID:	7586
PubChem CID:	73452
Reduced:	N2O7C12H20 (1)
Stoich.:	A2B7C12D20 (1)
Weight, g/mol:	304.127051
ΔH_f, kcal/mol:	-294.57
Dipole, Da:	1.33
IP(EA), eV:	-10.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R)-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1=C(N=CC(=N1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O

DOS

IR

Vibrations