Geometry & MOs

Info

ID:	427154
PubChem CID:	135155744
Reduced:	ClO3N5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	465.089693
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	2.59
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;butanedioic acid

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=CC=C4)C5=CC=CC=C5)Cl

DOS

IR

Vibrations