Geometry & MOs

Info

ID:	49263
PubChem CID:	11532406
Reduced:	Cl2S2N3O3C17H17 (1)
Stoich.:	A2B2C3D3E17F17 (1)
Weight, g/mol:	446.091198
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	2.3
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NCCC(=O)OC)/C1=CSC(=C1O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations