Geometry & MOs

Info

ID:	229643
PubChem CID:	87568286
Reduced:	PH3O5C8F14 (1)
Stoich.:	AB3C5D8E14 (1)
Weight, g/mol:	259.062677
ΔH_f, kcal/mol:	-944.34
Dipole, Da:	3.08
IP(EA), eV:	-11.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanyloxolan-2-yl]amino]-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C(C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)P(=O)(O)O

DOS

IR

Vibrations