Geometry & MOs

Info

ID:	373412
PubChem CID:	131314813
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	3.81
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CSC2=C1C(=C(C=C2)F)CC(=O)O

DOS

IR

Vibrations