Geometry & MOs

Info

ID:	194088
PubChem CID:	78479724
Reduced:	ClNOSF4H12C16 (1)
Stoich.:	ABCDE4F12G16 (1)
Weight, g/mol:	332.088244
ΔH_f, kcal/mol:	-218.3
Dipole, Da:	2.23
IP(EA), eV:	-9.09(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)SC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations