Geometry & MOs

Info

ID:	378125
PubChem CID:	134224198
Reduced:	ClN2O3F4H13C21 (1)
Stoich.:	AB2C3D4E13F21 (1)
Weight, g/mol:	520.218051
ΔH_f, kcal/mol:	-234.64
Dipole, Da:	4.78
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-[1-(2-chloro-6-cyclopropylphenoxy)ethenyl]phenyl]methyl]-4-methylhexan-2-yl]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=N)OC2=C(C=CC=C2Cl)C(F)(F)F)NC3=C(C=C(C=C3)C(=O)O)F

DOS

IR

Vibrations