Geometry & MOs

Info

ID:	147285
PubChem CID:	53786940
Reduced:	ClSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-179.75
Dipole, Da:	7.0
IP(EA), eV:	-10.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-2,2,5-trimethyl-4-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC(CC=CCCCCS(=O)(=O)C1=CC=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations