Geometry & MOs

Info

ID:	434020
PubChem CID:	135174173
Reduced:	SO2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	524.230091
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(2,6-dimethylphenyl)methoxy]ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(SCC1)C=O)O

DOS

IR

Vibrations