Geometry & MOs

Info

ID:	169452
PubChem CID:	75105973
Reduced:	ClPS2O6N7C18H31 (1)
Stoich.:	ABC2D6E7F18G31 (1)
Weight, g/mol:	535.143661
ΔH_f, kcal/mol:	-285.82
Dipole, Da:	7.53
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[2-(2-aminopropanoylsulfanyl)ethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphoryl]oxyethyl] 2-aminopropanethioate

Drug info:

PubChemData

Smile

CC(C(=O)SCCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCCSC(=O)C(C)N)N.Cl

DOS

IR

Vibrations