Geometry & MOs

Info

ID:	303607
PubChem CID:	124489955
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	342.095082
ΔH_f, kcal/mol:	-154.21
Dipole, Da:	4.27
IP(EA), eV:	-9.78(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-hydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC/C=C\C[C@H]1[C@@H](CC[C@H]1O)CC(=O)O

DOS

IR

Vibrations