Geometry & MOs

Info

ID:	382758
PubChem CID:	134974089
Reduced:	BrO5F6H9C12 (1)
Stoich.:	AB5C6D9E12 (1)
Weight, g/mol:	280.038043
ΔH_f, kcal/mol:	-487.96
Dipole, Da:	6.62
IP(EA), eV:	-10.89(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-thiophen-2-ylbenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

C1COC2(O1)CC(C(=O)C(C2)(C(=O)C(F)(F)F)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations