Geometry & MOs

Info

ID:	170496
PubChem CID:	75242120
Reduced:	S2N3O5H23C26 (1)
Stoich.:	A2B3C5D23E26 (1)
Weight, g/mol:	577.178508
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	9.68
IP(EA), eV:	-8.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate;oxalic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1C2=CC=CS2)C3CNC(=O)NC3=O)C4=CC5=C(C=C4)C=C(C=C5)NS(=O)(=O)C

DOS

IR

Vibrations