Geometry & MOs

Info

ID:	194019
PubChem CID:	78469340
Reduced:	FNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	7.13
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations