Geometry & MOs

Info

ID:	302626
PubChem CID:	124385392
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	388.185903
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	2.25
IP(EA), eV:	-9.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C(=O)NCC1=CC=CC=C1)N2C=CC=N2

DOS

IR

Vibrations