Geometry & MOs

Info

ID:	153448
PubChem CID:	56312647
Reduced:	FSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	499.295868
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	5.63
IP(EA), eV:	-8.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O)C4=CC=CC=C4F

DOS

IR

Vibrations