Geometry & MOs

Info

ID:	360541
PubChem CID:	127301186
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	4.85
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3)C

DOS

IR

Vibrations