Geometry & MOs

Info

ID:	446025
PubChem CID:	135271633
Reduced:	O2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	550.188606
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	3.99
IP(EA), eV:	-10.24(2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylsulfanyl]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Drug info:

PubChemData

Smile

CCC(C)C(C(C)CCO)O

DOS

IR

Vibrations