Geometry & MOs

Info

ID:	285431
PubChem CID:	104104352
Reduced:	SN3O3C12H13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	288.114378
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	4.76
IP(EA), eV:	-8.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[2-(oxazinan-2-yl)-2-oxoethyl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CCCCO3

DOS

IR

Vibrations