Geometry & MOs

Info

ID:	370444
PubChem CID:	127338806
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	267.075157
ΔH_f, kcal/mol:	28.4
Dipole, Da:	6.15
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCCC(CC3)N4CCCC4

DOS

IR

Vibrations