Geometry & MOs

Info

ID:	195988
PubChem CID:	78760405
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	225.03944
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	6.67
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations