Geometry & MOs

Info

ID:	219404
PubChem CID:	85148366
Reduced:	ClSO3N7H15C21 (1)
Stoich.:	ABC3D7E15F21 (1)
Weight, g/mol:	480.090391
ΔH_f, kcal/mol:	105.23
Dipole, Da:	8.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948711
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-3-[3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)Cl)C3=NC(=CS3)C4=[N+](NOC4=O)C5=CC=CC=C5

DOS

IR

Vibrations