Geometry & MOs

Info

ID:	49250
PubChem CID:	11532348
Reduced:	SCl2N3O3C19H23 (1)
Stoich.:	AB2C3D3E19F23 (1)
Weight, g/mol:	444.111934
ΔH_f, kcal/mol:	-116.92
Dipole, Da:	8.97
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)CSC2=NC3=CC(=C(C=C3N2CC(=O)O)Cl)Cl

DOS

IR

Vibrations