Geometry & MOs

Info

ID:	373482
PubChem CID:	131315969
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	-44.14
Dipole, Da:	1.88
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1C(=CS2)C=O)CO

DOS

IR

Vibrations