Geometry & MOs

Info

ID:	373481
PubChem CID:	131315964
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	-49.08
Dipole, Da:	2.27
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-(hydroxymethyl)-1-benzothiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=C2C=C(SC2=CC(=C1)CO)C=O

DOS

IR

Vibrations