Geometry & MOs

Info

ID:	46009
PubChem CID:	10520396
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.029269
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	2.99
IP(EA), eV:	-9.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-thiophen-2-yl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCCN=C/C=C(\C=C\C1=CC=C(C=C1)C(=O)OC)/C(=O)OCC

DOS

IR

Vibrations