Geometry & MOs

Info

ID:	173728
PubChem CID:	75674363
Reduced:	BrN2O7H15C21 (1)
Stoich.:	AB2C7D15E21 (1)
Weight, g/mol:	492.052442
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	8.15
IP(EA), eV:	-9.5(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-[[4-chloro-2-[[1-(4-fluorophenyl)-4-oxido-2,6-dioxopyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N=C2[O-])Br)OCC3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations