Geometry & MOs

Info

ID:	187661
PubChem CID:	77606223
Reduced:	SN2O5C27H44 (1)
Stoich.:	AB2C5D27E44 (1)
Weight, g/mol:	459.061371
ΔH_f, kcal/mol:	-228.47
Dipole, Da:	13.62
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(2-amino-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-thiophen-2-ylethyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)CC(C1CC2=CC=CC(=C2)CCCCCCS(=O)(=O)CC(C(=O)N1)C)O

DOS

IR

Vibrations