Geometry & MOs

Info

ID:	320323
PubChem CID:	126659513
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	525.158549
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	2.66
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[3-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]-1,2-oxazol-5-yl]phenyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(C)O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O

DOS

IR

Vibrations