Geometry & MOs

Info

ID:	127135
PubChem CID:	50992166
Reduced:	PO4C5H12 (2)
Stoich.:	AB4C5D12 (2)
Weight, g/mol:	394.138953
ΔH_f, kcal/mol:	-521.75
Dipole, Da:	4.81
IP(EA), eV:	-10.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-8-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCC(O)(OP(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations