Geometry & MOs

Info

ID:	68636
PubChem CID:	46508811
Reduced:	FO2N3H26C28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	487.279469
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	4.75
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations