Geometry & MOs

Info

ID:	206793
PubChem CID:	80303921
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	307.104228
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	4.87
IP(EA), eV:	-9.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC2=NC(=CS2)C(C)(C)C)C(=O)O

DOS

IR

Vibrations