Geometry & MOs

Info

ID:	308549
PubChem CID:	126496956
Reduced:	NSO4C16H21 (2)
Stoich.:	ABC4D16E21 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-298.38
Dipole, Da:	4.64
IP(EA), eV:	-9.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3E)-2-prop-2-enylidene-3-propylidene-1,4-dioxane

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N[C@H](COC(=O)/C=C/C(=O)OC[C@H](C2=CC=CC=C2)NS(=O)(=O)C3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations