Geometry & MOs

Info

ID:	44547
PubChem CID:	10503991
Reduced:	O7C26H32 (1)
Stoich.:	A7B26C32 (1)
Weight, g/mol:	456.248504
ΔH_f, kcal/mol:	-261.34
Dipole, Da:	2.47
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-[6-(cyclopentylamino)-2-hex-1-ynylpurin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)OC4=CC=CC=C4C5=CC=CC(=C5)CCO)OC(O3)(C)C)C

DOS

IR

Vibrations