Geometry & MOs

Info

ID:	84440
PubChem CID:	49866446
Reduced:	PN2O9C13H19 (1)
Stoich.:	AB2C9D13E19 (1)
Weight, g/mol:	402.094051
ΔH_f, kcal/mol:	-434.97
Dipole, Da:	4.36
IP(EA), eV:	-9.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-hydroxy-5-[1-[(2S)-1-hydroxybut-3-en-2-yl]-6-oxopurin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C

DOS

IR

Vibrations