Geometry & MOs

Info

ID:	220530
PubChem CID:	85197662
Reduced:	SO6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	4.57
IP(EA), eV:	-10.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl) 2-hydroxy-3,6-dimethylbenzoate

Drug info:

PubChemData

Smile

COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)OC(=O)S2

DOS

IR

Vibrations