Geometry & MOs

Info

ID:	7516
PubChem CID:	73204
Reduced:	O6C25H28 (1)
Stoich.:	A6B25C28 (1)
Weight, g/mol:	424.188589
ΔH_f, kcal/mol:	-236.34
Dipole, Da:	3.3
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C

DOS

IR

Vibrations