Geometry & MOs

Info

ID:	338578
PubChem CID:	127259589
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	491.144098
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	2.26
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-amino-9-[(2R,3R,4S,5S)-5-formyl-3,4-dihydroxyoxolan-2-yl]-4H-purin-3-yl]-2-benzoylbenzoic acid

Drug info:

PubChemData

Smile

C[C@@H](CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations