Geometry & MOs

Info

ID:	22127
PubChem CID:	596059
Reduced:	NOC3H4 (6)
Stoich.:	ABC3D4 (6)
Weight, g/mol:	420.175733
ΔH_f, kcal/mol:	-201.68
Dipole, Da:	3.41
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetamido-4-acetyloxy-5-[6-(dimethylamino)purin-9-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3N(C)C)COC(=O)C

DOS

IR

Vibrations