Geometry & MOs

Info

ID:	64477
PubChem CID:	29201163
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	330.047442
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	5.04
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-(4-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)SC1=NN=CN1C2=CC=CC=C2OC

DOS

IR

Vibrations