Geometry & MOs

Info

ID:	214791
PubChem CID:	85083646
Reduced:	NF3O5C35H38 (1)
Stoich.:	AB3C5D35E38 (1)
Weight, g/mol:	565.249809
ΔH_f, kcal/mol:	-304.46
Dipole, Da:	5.48
IP(EA), eV:	-9.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-carboxyethylsulfonyl)anilino]-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(=C)C=CC2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations