Geometry & MOs

Info

ID:	84558
PubChem CID:	49867894
Reduced:	PN3O7C12H18 (1)
Stoich.:	AB3C7D12E18 (1)
Weight, g/mol:	289.057606
ΔH_f, kcal/mol:	-338.58
Dipole, Da:	3.71
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=NC=C(/C(=C/NCC[C@@H](C(=O)O)N)/C1=O)COP(=O)(O)O

DOS

IR

Vibrations