Geometry & MOs

Info

ID:	82106
PubChem CID:	49855611
Reduced:	ClO2N5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	351.109641
ΔH_f, kcal/mol:	58.89
Dipole, Da:	6.47
IP(EA), eV:	-8.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-(6-aminopurin-9-yl)-1-cyclopropylcyclopent-2-en-1-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=C(C(=C2)Cl)CN(CCC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations