Geometry & MOs

Info

ID:	250531
PubChem CID:	103097310
Reduced:	BrN2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	210.046299
ΔH_f, kcal/mol:	89.8
Dipole, Da:	2.78
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanopropan-2-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=CC=C(S2)Br

DOS

IR

Vibrations