Geometry & MOs

Info

ID:	445113
PubChem CID:	135264554
Reduced:	FSN4O4C44H47 (1)
Stoich.:	ABC4D4E44F47 (1)
Weight, g/mol:	232.040545
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	10.32
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dioxane-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=NC=C(C=N3)C4=C(C=C(C=C4)C5=CC=C(C=C5)C6CCCCC6)F)C(N7CC(C7)C(=O)O)O

DOS

IR

Vibrations