Geometry & MOs

Info

ID:	184508
PubChem CID:	77170989
Reduced:	F2O2N7C28H37 (1)
Stoich.:	A2B2C7D28E37 (1)
Weight, g/mol:	517.090385
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	6.92
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)NC(C3=CC=CC(=C3O)C4CCCC(C4)C5NNNN5)C(C)(F)F)C

DOS

IR

Vibrations