Geometry & MOs

Info

ID:	370445
PubChem CID:	127338888
Reduced:	NOS2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	227.134385
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	4.46
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-(3-methylthiomorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations