Geometry & MOs

Info

ID:	445500
PubChem CID:	135267395
Reduced:	FN5O6C14H18 (1)
Stoich.:	AB5C6D14E18 (1)
Weight, g/mol:	371.124111
ΔH_f, kcal/mol:	-175.72
Dipole, Da:	9.4
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3S,4R,5R)-4-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OF)O

DOS

IR

Vibrations