Geometry & MOs

Info

ID:	222722
PubChem CID:	85332149
Reduced:	SN2O4C27H42 (1)
Stoich.:	AB2C4D27E42 (1)
Weight, g/mol:	491.000832
ΔH_f, kcal/mol:	-169.31
Dipole, Da:	4.55
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCC=CCC(CCC=CCC=CCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)CN)O

DOS

IR

Vibrations