Geometry & MOs

Info

ID:	375816
PubChem CID:	134221806
Reduced:	FNO4C29H30 (1)
Stoich.:	ABC4D29E30 (1)
Weight, g/mol:	386.06967
ΔH_f, kcal/mol:	-183.41
Dipole, Da:	8.46
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4=CC(=CC=C4)F)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations