Geometry & MOs

Info

ID:	48361
PubChem CID:	10539197
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	259.051444
ΔH_f, kcal/mol:	23.43
Dipole, Da:	4.79
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(/C(=C/NNC2=NC=CC=N2)/C1=O)CO

DOS

IR

Vibrations