Geometry & MOs

Info

ID:	188420
PubChem CID:	77715405
Reduced:	NF3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	465.090992
ΔH_f, kcal/mol:	-258.71
Dipole, Da:	4.18
IP(EA), eV:	-9.15(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]-2,3-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CCCC(C)(C1=C(N(C2=C1C(=C(C=C2)O)F)C(=O)C3=CC(=C(C=C3)F)F)C)C(=O)O

DOS

IR

Vibrations