Geometry & MOs

Info

ID:	149469
PubChem CID:	53789142
Reduced:	SN3O3H5C7 (2)
Stoich.:	AB3C3D5E7 (2)
Weight, g/mol:	303.978335
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	9.4
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-benzothiophen-2-yl)ethenyl]thiophene-2-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=NN=[N-])C(=N[N+]#N)C2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations