Geometry & MOs

Info

ID:	17117
PubChem CID:	484587
Reduced:	O7C25H28 (1)
Stoich.:	A7B25C28 (1)
Weight, g/mol:	440.183503
ΔH_f, kcal/mol:	-284.29
Dipole, Da:	3.21
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=C(C=C(C=C3O)O)O)O)C)C

DOS

IR

Vibrations