Geometry & MOs

Info

ID:	375890
PubChem CID:	134221884
Reduced:	BrClN2O2F7H17C22 (1)
Stoich.:	ABC2D2E7F17G22 (1)
Weight, g/mol:	463.272259
ΔH_f, kcal/mol:	-418.08
Dipole, Da:	4.18
IP(EA), eV:	-9.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(cyclohexanecarbonyl)-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)NCC(=O)NCC(F)(F)F)Br)C(F)(F)F

DOS

IR

Vibrations