Geometry & MOs

Info

ID:	165254
PubChem CID:	74521963
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	340.125692
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	4.33
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CSCC2=CC=CC=C2)N

DOS

IR

Vibrations