Geometry & MOs

Info

ID:	182833
PubChem CID:	76943090
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	5.86
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxolan-2-yl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N2CCC(=O)NC2=S

DOS

IR

Vibrations