Geometry & MOs

Info

ID:	376182
PubChem CID:	134222187
Reduced:	OCl2N2F4H20C25 (1)
Stoich.:	AB2C2D4E20F25 (1)
Weight, g/mol:	388.02447
ΔH_f, kcal/mol:	-198.75
Dipole, Da:	2.83
IP(EA), eV:	-9.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC3=NC=C(C=C3)Cl)C)C(F)(F)F

DOS

IR

Vibrations