Geometry & MOs

Info

ID:	194018
PubChem CID:	78469339
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	333.083493
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	2.7
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations