Geometry & MOs

Info

ID:	206311
PubChem CID:	80228886
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	348.95945
ΔH_f, kcal/mol:	1.28
Dipole, Da:	9.74
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NC(=O)C=C(N2)CNC(C)C

DOS

IR

Vibrations