Geometry & MOs

Info

ID:	374524
PubChem CID:	131330860
Reduced:	BrClNF3H4C9 (1)
Stoich.:	ABCD3E4F9 (1)
Weight, g/mol:	229.91495
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	2.65
IP(EA), eV:	-10.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2-bromo-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC#N)Br)Cl)C(F)(F)F

DOS

IR

Vibrations