Geometry & MOs

Info

ID:	217900
PubChem CID:	85088556
Reduced:	ISN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	410.209324
ΔH_f, kcal/mol:	40.14
Dipole, Da:	5.65
IP(EA), eV:	-8.48(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CNC2=NC3=CC=CC=C3S2)C=C(C1=O)I

DOS

IR

Vibrations