Geometry & MOs

Info

ID:	170122
PubChem CID:	75199165
Reduced:	SN4O4C26H40 (1)
Stoich.:	AB4C4D26E40 (1)
Weight, g/mol:	485.300205
ΔH_f, kcal/mol:	-165.35
Dipole, Da:	8.62
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-4,5-dihydropurin-1-yl]-N-nonylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C1CCC2C(C1)NC(=S)N(C2=O)CCCOC)C3=CC(=CC=C3)OC

DOS

IR

Vibrations