Geometry & MOs

Info

ID:	33616
PubChem CID:	7887219
Reduced:	FSO3H11C17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	343.067843
ΔH_f, kcal/mol:	-91.62
Dipole, Da:	1.26
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations