Geometry & MOs

Info

ID:	437820
PubChem CID:	135227106
Reduced:	FION2S2H16C18 (1)
Stoich.:	ABCD2E2F16G18 (1)
Weight, g/mol:	406.14925
ΔH_f, kcal/mol:	4.78
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[2-[5-[2-(5-methylthian-2-yl)ethyl]-1,3-dithian-2-yl]ethyl]-1,3-oxathiane

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)N(C=C2)SI)C3=C(C=CC(=C3)SCC4CC4)F

DOS

IR

Vibrations