Geometry & MOs

Info

ID:	373897
PubChem CID:	131321094
Reduced:	ClNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	215.040485
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	2.71
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-formyl-1-benzothiophene-7-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC=C1C2=CC(=CO2)Cl)N

DOS

IR

Vibrations