Geometry & MOs

Info

ID:	442650
PubChem CID:	135253636
Reduced:	ClO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	458.360739
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	2.4
IP(EA), eV:	-8.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-2-heptadecyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Drug info:

PubChemData

Smile

CCC1=C(OC(=C1)/C=C/C2=CC=C(O2)Cl)C

DOS

IR

Vibrations