Geometry & MOs

Info

ID:	84460
PubChem CID:	49866507
Reduced:	PN3O9C11H16 (1)
Stoich.:	AB3C9D11E16 (1)
Weight, g/mol:	345.072587
ΔH_f, kcal/mol:	-435.17
Dipole, Da:	5.54
IP(EA), eV:	-9.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-hydroxy-5-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

DOS

IR

Vibrations