Geometry & MOs

Info

ID:	200031
PubChem CID:	79335178
Reduced:	BrF2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	240.012412
ΔH_f, kcal/mol:	-145.0
Dipole, Da:	4.65
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal

Drug info:

PubChemData

Smile

CCC(=CC1=C(C=CC(=C1)Br)OC(F)F)C=O

DOS

IR

Vibrations