Geometry & MOs

Info

ID:	188408
PubChem CID:	77712171
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	447.113188
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	8.75
IP(EA), eV:	-9.17(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-chlorothiophen-2-yl)ethenyl]-5-[6-(cyclopentylamino)purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CN(C)C1=CC2=NSC(=C2C=C1)C(=O)NC3CN4CCC3CC4.C(=O)O

DOS

IR

Vibrations