Geometry & MOs

Info

ID:	33623
PubChem CID:	7887256
Reduced:	N2S2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	347.042771
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	6.88
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoroanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O)C

DOS

IR

Vibrations