Geometry & MOs

Info

ID:	375815
PubChem CID:	134221805
Reduced:	ClO3F4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	475.215887
ΔH_f, kcal/mol:	-292.92
Dipole, Da:	3.64
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(3-fluorobenzoyl)-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)OC)OC)C(F)(F)F

DOS

IR

Vibrations