Geometry & MOs

Info

ID:	413434
PubChem CID:	135086383
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	146.094294
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	7.34
IP(EA), eV:	-10.05(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,2,4-trimethyl-1,3-dioxan-5-ol

Drug info:

PubChemData

Smile

CCCCCC(C=C)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations