Geometry & MOs

Info

ID:	84506
PubChem CID:	49867043
Reduced:	PSeN5O6C10H13 (1)
Stoich.:	ABC5D6E10F13 (1)
Weight, g/mol:	347.063085
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	10.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753647
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)[Se])O

DOS

IR

Vibrations