Geometry & MOs

Info

ID:	224060
PubChem CID:	85337711
Reduced:	SO2N4C31H42 (1)
Stoich.:	AB2C4D31E42 (1)
Weight, g/mol:	536.988553
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	7.6
IP(EA), eV:	-8.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [methoxy(phosphonooxy)phosphinothioyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=NC2=CC=CC=C2)N1C(COCC3=CC=CC=C3)C(=O)NCC4CCCC(C4)CN

DOS

IR

Vibrations