Geometry & MOs

Info

ID:	219243
PubChem CID:	85096688
Reduced:	O7H24C28 (1)
Stoich.:	A7B24C28 (1)
Weight, g/mol:	471.85356
ΔH_f, kcal/mol:	-191.12
Dipole, Da:	8.56
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2C(OC3(O2)CC4C(=CO3)C(=O)C5=CC=CC=C5O4)C6=CC=CC=C6OC

DOS

IR

Vibrations