Geometry & MOs

Info

ID:	373201
PubChem CID:	131311442
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	3.86
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-nitro-1-benzothiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=CC=C2S1)C=O)CO

DOS

IR

Vibrations