Geometry & MOs

Info

ID:	399780
PubChem CID:	135042605
Reduced:	SO8C35H36 (1)
Stoich.:	AB8C35D36 (1)
Weight, g/mol:	293.072179
ΔH_f, kcal/mol:	-210.14
Dipole, Da:	3.37
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-amino-1-benzothiophene-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1C([C@H](C(C(=C1O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations