Geometry & MOs

Info

ID:	191363
PubChem CID:	78137753
Reduced:	SF2O2N4H24C27 (1)
Stoich.:	AB2C2D4E24F27 (1)
Weight, g/mol:	566.163556
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	9.17
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyxanthen-9-one

Drug info:

PubChemData

Smile

C1CNC(C2C1NCC(C2=O)C3=CC=CC=C3F)NC4=CC(=C(C=C4)OC5=C6C(=NC=C5)C=CS6)F

DOS

IR

Vibrations