Geometry & MOs

Info

ID:	248671
PubChem CID:	103083499
Reduced:	BrNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	310.96156
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	2.05
IP(EA), eV:	-9.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CS2)C(=O)OC

DOS

IR

Vibrations