Geometry & MOs

Info

ID:	442950
PubChem CID:	135257068
Reduced:	OSN2C5H10 (1)
Stoich.:	ABC2D5E10 (1)
Weight, g/mol:	350.101816
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	4.51
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

C/C=C(/C)\NC(=S)ON

DOS

IR

Vibrations