Geometry & MOs

Info

ID:	165489
PubChem CID:	74557220
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	470.01135
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	2.53
IP(EA), eV:	-9.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[4-bromo-2-[[1-(4-ethylphenyl)-4-oxido-2,6-dioxopyrimidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C2=CC=NC3=NC(=NC(=O)C23)N4CCCCC4

DOS

IR

Vibrations