Geometry & MOs

Info

ID:	395981
PubChem CID:	135027106
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	367.149183
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	2.05
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[[(3S,6S)-3,4-dihydroxy-6-methoxy-5-methyloxan-2-yl]methyl]-6-oxo-3H-purin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C\2/C(OC(=O)N2C3=CC=CC=C3)(C)C

DOS

IR

Vibrations