Geometry & MOs

Info

ID:	373199
PubChem CID:	131311418
Reduced:	BrFSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	3.96
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-(hydroxymethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C(=O)O)C(=CS2)CBr)F

DOS

IR

Vibrations