Geometry & MOs

Info

ID:	57012
PubChem CID:	22395219
Reduced:	P2S2H3O6 (1)
Stoich.:	A2B2C3D6 (1)
Weight, g/mol:	485.175792
ΔH_f, kcal/mol:	-267.58
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.788562
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

OP(=S)(O)S.[O-]P(=O)([O-])[O-]

DOS

IR

Vibrations