Geometry & MOs

Info

ID:	373200
PubChem CID:	131311441
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	5.14
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C=CC(=C2C=O)CO

DOS

IR

Vibrations