Geometry & MOs

Info

ID:	395128
PubChem CID:	135024701
Reduced:	BrSO3H4F7C9 (1)
Stoich.:	ABC3D4E7F9 (1)
Weight, g/mol:	394.120509
ΔH_f, kcal/mol:	-442.06
Dipole, Da:	6.96
IP(EA), eV:	-10.22(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-(3-formyl-4-hydroxyphenyl)phenyl]phenyl]-2-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)Br)O

DOS

IR

Vibrations