Geometry & MOs

Info

ID:	186175
PubChem CID:	77399275
Reduced:	O9C18H20 (1)
Stoich.:	A9B18C20 (1)
Weight, g/mol:	396.105647
ΔH_f, kcal/mol:	-317.87
Dipole, Da:	11.18
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 3-(2,4,6-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C=CC(=O)OCCC2C(=C(C(=O)O2)O)O)OC

DOS

IR

Vibrations