Geometry & MOs

Info

ID:	373712
PubChem CID:	131319061
Reduced:	BrON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	255.013619
ΔH_f, kcal/mol:	18.11
Dipole, Da:	7.81
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN[C@@H](CN1)C2=C(C(=CC(=C2)C#N)Br)O

DOS

IR

Vibrations