Geometry & MOs

Info

ID:	222395
PubChem CID:	85297352
Reduced:	N2O3C26H32 (1)
Stoich.:	A2B3C26D32 (1)
Weight, g/mol:	419.9764
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	1.01
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(3-chloro-4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=NC(C(=O)N1C(=O)OC(C)(C)C)(C)CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations