Geometry & MOs

Info

ID:	328849
PubChem CID:	126728361
Reduced:	PSN5O5C15H20 (1)
Stoich.:	ABC5D5E15F20 (1)
Weight, g/mol:	345.039193
ΔH_f, kcal/mol:	-222.29
Dipole, Da:	6.65
IP(EA), eV:	-9.19(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R)-6-(6-aminopurin-9-yl)-2-hydroxy-2-phosphanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC2=NC=CC(=N2)/C=C\3/C(=O)N(C(=O)S3)COP(O)O

DOS

IR

Vibrations