Geometry & MOs

Info

ID:	9629
PubChem CID:	91765
Reduced:	NSO3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	325.171165
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	3.52
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(ethoxyamino)butylidene]-5-(thian-3-yl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCC

DOS

IR

Vibrations