Geometry & MOs

Info

ID:	434488
PubChem CID:	135175035
Reduced:	P2S2N10O10C21H26 (1)
Stoich.:	A2B2C10D10E21F26 (1)
Weight, g/mol:	365.035905
ΔH_f, kcal/mol:	-409.31
Dipole, Da:	16.27
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(4R)-5-(dihydroxyphosphinothioyloxymethyl)-4-fluorooxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O[C@H]2[C@@H]3C(O[C@]2(CO3)COP(=O)(O)S)N4C=NC5=C(N=CN=C54)N)N6C=NC7=C6NC(=NC7=O)N

DOS

IR

Vibrations