Geometry & MOs

Info

ID:	170275
PubChem CID:	75214657
Reduced:	FOSN2C17H25 (1)
Stoich.:	ABCD2E17F25 (1)
Weight, g/mol:	636.169035
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	4.39
IP(EA), eV:	-8.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)NCCCCCC=C(CS)F

DOS

IR

Vibrations