Geometry & MOs

Info

ID:	328724
PubChem CID:	126726929
Reduced:	SO3N6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	526.02841
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	2.8
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methylthiolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)C4(C(C(S4)C(=O)NC)O)O

DOS

IR

Vibrations