Geometry & MOs

Info

ID:	129408
PubChem CID:	51072505
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	321.049336
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	5.05
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCC(=O)N3

DOS

IR

Vibrations