Geometry & MOs

Info

ID:	378129
PubChem CID:	134224202
Reduced:	FNCl2O4H12C23 (1)
Stoich.:	ABC2D4E12F23 (1)
Weight, g/mol:	508.1572
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	5.41
IP(EA), eV:	-9.34(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-[3-(2,6-dichlorophenyl)-3-oxoprop-1-en-2-yl]phenyl]methyl]-4-methylhexyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)C2=CN(C3=C2C=CC(=C3)C=O)C4=C(C=C(C=C4)C(=O)O)F)Cl

DOS

IR

Vibrations