Geometry & MOs

Info

ID:	434216
PubChem CID:	135174449
Reduced:	PN5O6C10H13 (2)
Stoich.:	AB5C6D10E13 (2)
Weight, g/mol:	300.062357
ΔH_f, kcal/mol:	-501.0
Dipole, Da:	14.29
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-purin-9-yloxolan-2-yl)methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@H]2[C@H](C(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations