Geometry & MOs

Info

ID:	218503
PubChem CID:	85089542
Reduced:	N4O4F6C19H20 (1)
Stoich.:	A4B4C6D19E20 (1)
Weight, g/mol:	473.032745
ΔH_f, kcal/mol:	-454.27
Dipole, Da:	5.67
IP(EA), eV:	-10.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[dichloro-(4-methoxyphenyl)sulfinylmethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC(C(C2C1NC(NC2=O)N)C(F)(F)F)N(CC3=CC=C(C=C3)C(=O)O)C(=O)C(F)(F)F

DOS

IR

Vibrations