Geometry & MOs

Info

ID:	303589
PubChem CID:	124489936
Reduced:	O8C15H18 (1)
Stoich.:	A8B15C18 (1)
Weight, g/mol:	326.100168
ΔH_f, kcal/mol:	-307.62
Dipole, Da:	6.91
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations