Geometry & MOs

Info

ID:	169902
PubChem CID:	75165714
Reduced:	O9C14H18 (1)
Stoich.:	A9B14C18 (1)
Weight, g/mol:	532.215591
ΔH_f, kcal/mol:	-375.68
Dipole, Da:	4.77
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dihydroxy-3,5-dimethyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1O)O)C=O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations