Geometry & MOs

Info

ID:	12902
PubChem CID:	148040
Reduced:	PN3O7C11H14 (1)
Stoich.:	AB3C7D11E14 (1)
Weight, g/mol:	331.056937
ΔH_f, kcal/mol:	-321.88
Dipole, Da:	3.86
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-2-(hydroxymethyl)-5-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](OC1N2C=CC3=NC=CN3C2=O)CO)OP(=O)(O)O

DOS

IR

Vibrations