Geometry & MOs

Info

ID:	194020
PubChem CID:	78469341
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-95.58
Dipole, Da:	6.19
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)COC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations