Geometry & MOs

Info

ID:	160337
PubChem CID:	57309684
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	421.115296
ΔH_f, kcal/mol:	-199.09
Dipole, Da:	6.52
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[2-chloro-6-(2-phenylethoxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN(CC1)C)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations