Geometry & MOs

Info

ID:	163917
PubChem CID:	74380802
Reduced:	ClF2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	430.099472
ΔH_f, kcal/mol:	-300.22
Dipole, Da:	0.99
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[(2,6-difluoro-4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl)F)F

DOS

IR

Vibrations