Geometry & MOs

Info

ID:	203441
PubChem CID:	79831466
Reduced:	BrClFNSH10C16 (1)
Stoich.:	ABCDEF10G16 (1)
Weight, g/mol:	363.06563
ΔH_f, kcal/mol:	12.98
Dipole, Da:	2.72
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=C(C=CC(=C2)Cl)F)C3=CC=CC=C3Br

DOS

IR

Vibrations