Geometry & MOs

Info

ID:	206792
PubChem CID:	80303606
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	3.94
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations