Geometry & MOs

Info

ID:	248675
PubChem CID:	103083521
Reduced:	BrNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	353.00851
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	3.99
IP(EA), eV:	-9.72(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(S2)C(=O)O)C3CC3

DOS

IR

Vibrations