Geometry & MOs

Info

ID:	382472
PubChem CID:	134973663
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	474.16566
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	2.03
IP(EA), eV:	-10.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-6-(4-hydroxy-6-methoxy-2-methyloxan-3-yl)oxy-2-methyloxan-4-yl] 3-chloro-6-methoxy-2-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCC#C[C@@H](C/C=C\C(=O)OC)O

DOS

IR

Vibrations