Geometry & MOs

Info

ID:	177818
PubChem CID:	76235261
Reduced:	FSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	466.232853
ΔH_f, kcal/mol:	-141.39
Dipole, Da:	2.43
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-butyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-8-yl)methylamino]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)C=CC(=O)NCCCOCCOC

DOS

IR

Vibrations