Geometry & MOs

Info

ID:	25322
PubChem CID:	622933
Reduced:	F3N3O3H12C13 (1)
Stoich.:	A3B3C3D12E13 (1)
Weight, g/mol:	420.142032
ΔH_f, kcal/mol:	-227.01
Dipole, Da:	1.73
IP(EA), eV:	-9.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC(F)(F)F)N

DOS

IR

Vibrations