Geometry & MOs

Info

ID:	264105
PubChem CID:	103428911
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-208.62
Dipole, Da:	7.6
IP(EA), eV:	-9.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)N[C@@H](C)C(=O)OC

DOS

IR

Vibrations