Geometry & MOs

Info

ID:	214778
PubChem CID:	85083625
Reduced:	N2S2O4H30C35 (1)
Stoich.:	A2B2C4D30E35 (1)
Weight, g/mol:	605.99491
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	6.9
IP(EA), eV:	-8.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methylcarbamoyl)oxolan-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=CC=C1OC)NC2=C(C=C(C=C2)OC3=CC=CC=C3)SSC4=C(C=CC(=C4)OC5=CC=CC=C5)N

DOS

IR

Vibrations