Geometry & MOs

Info

ID:	33615
PubChem CID:	7887213
Reduced:	O3S3N4C16H16 (1)
Stoich.:	A3B3C4D16E16 (1)
Weight, g/mol:	314.041294
ΔH_f, kcal/mol:	-53.0
Dipole, Da:	2.26
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=NC(=CS3)CC(=O)OC)C

DOS

IR

Vibrations