Geometry & MOs

Info

ID:	424292
PubChem CID:	135122079
Reduced:	O2C27H46 (1)
Stoich.:	A2B27C46 (1)
Weight, g/mol:	409.123363
ΔH_f, kcal/mol:	-174.16
Dipole, Da:	3.42
IP(EA), eV:	-9.6(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-4-acetyl-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CCCC1C(CC2C1(CCC3C2CCC4C3(CCC(=O)C4(C)C)C)C)O

DOS

IR

Vibrations