Geometry & MOs

Info

ID:	375877
PubChem CID:	134221871
Reduced:	ClN2O2F6H23C24 (1)
Stoich.:	AB2C2D6E23F24 (1)
Weight, g/mol:	485.256609
ΔH_f, kcal/mol:	-382.33
Dipole, Da:	7.44
IP(EA), eV:	-9.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2,4-dimethylbenzoyl)-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(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)N(C)CC(F)(F)F)C)C(F)(F)F

DOS

IR

Vibrations