Geometry & MOs

Info

ID:	1627
PubChem CID:	4789
Reduced:	O10C21H24 (1)
Stoich.:	A10B21C24 (1)
Weight, g/mol:	436.136947
ΔH_f, kcal/mol:	-401.8
Dipole, Da:	6.67
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O

DOS

IR

Vibrations