Geometry & MOs

Info

ID:	33679
PubChem CID:	7887472
Reduced:	FOS2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	357.083493
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	3.8
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@H](C)C(=O)N[C@H](C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations