Geometry & MOs

Info

ID:	189594
PubChem CID:	77877317
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	468.215489
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	4.02
IP(EA), eV:	-7.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[9-[3,4-dihydroxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCCCCCC1C2CC3=C4C(=C2C=C(N1)C)CCC=C4NC3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations