Geometry & MOs

Info

ID:	233576
PubChem CID:	91145494
Reduced:	Cl2F3O3N4H19C28 (1)
Stoich.:	A2B3C3D4E19F28 (1)
Weight, g/mol:	432.154844
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	12.5
IP(EA), eV:	-9.86(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3-ethyloxetan-3-yl)methoxy]phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC(=O)C2=CC(=CC(=C2CO)C3=CC(=C(C(=O)N3)C#N)C4=C(C=CC(=C4)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations