Geometry & MOs

Info

ID:	309651
PubChem CID:	126552043
Reduced:	O7C34H40 (1)
Stoich.:	A7B34C40 (1)
Weight, g/mol:	243.973825
ΔH_f, kcal/mol:	-241.21
Dipole, Da:	4.96
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,1-dioxo-6-(sulfinatoamino)-1-benzothiophene

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCOC1=CC=C(C=C1)C2CCC(CC2)/C=C/C(=O)OC3=CC=C(C=C3)CCOC(=O)C(=C)C

DOS

IR

Vibrations