Geometry & MOs

Info

ID:	43699
PubChem CID:	10321663
Reduced:	NF3O5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	453.131819
ΔH_f, kcal/mol:	-342.95
Dipole, Da:	8.42
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methylsulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC

DOS

IR

Vibrations