Geometry & MOs

Info

ID:	378214
PubChem CID:	134224290
Reduced:	NOPC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	524.192979
ΔH_f, kcal/mol:	38.03
Dipole, Da:	3.45
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C1=C(NC=C1C(=O)C2=CC(=CC=C2)P)C=C

DOS

IR

Vibrations