Geometry & MOs

Info

ID:	322129
PubChem CID:	126668775
Reduced:	NSO2F9H14C27 (1)
Stoich.:	ABC2D9E14F27 (1)
Weight, g/mol:	320.94347
ΔH_f, kcal/mol:	-392.14
Dipole, Da:	5.53
IP(EA), eV:	-9.48(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-5-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)C4=CN=C(C=C4)F)C=CC(=C2)SOC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations