Geometry & MOs

Info

ID:	44680
PubChem CID:	10505327
Reduced:	F2O2N5C27H29 (1)
Stoich.:	A2B2C5D27E29 (1)
Weight, g/mol:	493.217672
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	3.96
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-oxo-9-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]-3H-purin-2-yl]pent-4-enamide

Drug info:

PubChemData

Smile

CN1C=C([C@H](NC1=O)C2=CC(=C(C=C2)F)F)C(=O)NCCCN3CCC(CC3)C4=CC=CC=C4C#N

DOS

IR

Vibrations