Geometry & MOs

Info

ID:	163941
PubChem CID:	74381006
Reduced:	O2N3F6H23C26 (1)
Stoich.:	A2B3C6D23E26 (1)
Weight, g/mol:	406.14501
ΔH_f, kcal/mol:	-331.63
Dipole, Da:	5.54
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-5-[(4-methoxyphenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C1=CN=C(C=C1)C(F)(F)F)NC2CC(N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations