Geometry & MOs

Info

ID:	170744
PubChem CID:	75274699
Reduced:	F2N2O5C20H28 (1)
Stoich.:	A2B2C5D20E28 (1)
Weight, g/mol:	510.210112
ΔH_f, kcal/mol:	-330.91
Dipole, Da:	3.9
IP(EA), eV:	-9.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hydroxyethoxy)-3-[4-(2-hydroxyethoxy)phenyl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=O)NC(CCC(CNC(=O)OC(C)(C)C)C1=C(C(=CC=C1)F)F)C(=O)OC

DOS

IR

Vibrations