Geometry & MOs

Info

ID:	49716
PubChem CID:	11533652
Reduced:	BrFNOSH19C28 (1)
Stoich.:	ABCDEF19G28 (1)
Weight, g/mol:	516.126776
ΔH_f, kcal/mol:	37.03
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5R)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3C(SC4=C(C=CC(=C4)Br)N=C3C5=CC=CC=C5O2)C6=CC=C(C=C6)F

DOS

IR

Vibrations