Geometry & MOs

Info

ID:	58664
PubChem CID:	24712429
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	7.18
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OCC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations