Geometry & MOs

Info

ID:	15880
PubChem CID:	454264
Reduced:	O9C21H22 (1)
Stoich.:	A9B21C22 (1)
Weight, g/mol:	418.126382
ΔH_f, kcal/mol:	-327.84
Dipole, Da:	6.57
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations