Geometry & MOs

Info

ID:	16412
PubChem CID:	467480
Reduced:	O10H20C21 (1)
Stoich.:	A10B20C21 (1)
Weight, g/mol:	432.105647
ΔH_f, kcal/mol:	-355.74
Dipole, Da:	9.89
IP(EA), eV:	-8.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C3C(=CC(=CC3=O)O[C@H]4C(C([C@H](C(O4)CO)O)O)O)O2)O)O

DOS

IR

Vibrations