Geometry & MOs

Info

ID:	325135
PubChem CID:	126681318
Reduced:	FSO5N6C32H35 (1)
Stoich.:	ABC5D6E32F35 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	20.58
IP(EA), eV:	-7.86(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R,6S)-2,3,5,6-tetramethyl-1,4-dioxane

Drug info:

PubChemData

Smile

CCC\1=CC(=O)C(=C/C1=C\2/N=C3C(=CNN3)C(=N2)N(CCC4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5N(C)S(=O)(=O)C)F

DOS

IR

Vibrations