Geometry & MOs

Info

ID:	283861
PubChem CID:	104013937
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-44.15
Dipole, Da:	7.36
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethylpyridin-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=NC(=C(S2)C)C(=O)O)C

DOS

IR

Vibrations