Geometry & MOs

Info

ID:	187653
PubChem CID:	77606215
Reduced:	SN4O6C29H38 (1)
Stoich.:	AB4C6D29E38 (1)
Weight, g/mol:	499.092671
ΔH_f, kcal/mol:	-228.12
Dipole, Da:	4.98
IP(EA), eV:	-8.28(-1.19)
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-(4-methylsulfanylphenyl)ethyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCOC1OC)NC(=O)CNC(=O)C(C)(C)OC2=CC=C3C(=NC4=CC=CC=C4S3)C2

DOS

IR

Vibrations