Geometry & MOs

Info

ID:	225086
PubChem CID:	85741501
Reduced:	BrClNF2S2H5C10 (1)
Stoich.:	ABCD2E2F5G10 (1)
Weight, g/mol:	446.80596
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	1.73
IP(EA), eV:	-9.19(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo(difluoro)methyl]sulfanyl-5-iodo-4-phenyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=N2)SC(F)(F)Br)Cl

DOS

IR

Vibrations