Geometry & MOs

Info

ID:	217013
PubChem CID:	85087118
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	324.193674
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	9.51
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenylmethoxyhexane-2,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=CCC2CC2)C(=O)O

DOS

IR

Vibrations