Geometry & MOs

Info

ID:	409697
PubChem CID:	135082480
Reduced:	CoN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	440.131862
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	20.62
IP(EA), eV:	-9.95(-5.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Drug info:

PubChemData

Smile

[CH2-]CCC1=CC=CC=C1.C1=C/C(=C/NCCCN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1.[Co]

DOS

IR

Vibrations