Geometry & MOs

Info

ID:	206794
PubChem CID:	80303922
Reduced:	FNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	323.074678
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	4.24
IP(EA), eV:	-9.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(C2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations