Geometry & MOs

Info

ID:	234553
PubChem CID:	92298678
Reduced:	ClON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	374.100168
ΔH_f, kcal/mol:	74.2
Dipole, Da:	6.46
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\C=N/NC2=C3C=CC(=CC3=NC=C2)Cl

DOS

IR

Vibrations