Geometry & MOs

Info

ID:	426413
PubChem CID:	135143930
Reduced:	SF2O3N7C20H21 (1)
Stoich.:	AB2C3D7E20F21 (1)
Weight, g/mol:	406.129754
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	5.92
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-4,6-dimethoxy-5-phenylmethoxyoxan-2-yl)methoxy]ethanesulfonic acid

Drug info:

PubChemData

Smile

CC(=N)OC(=N)COC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)C3CS(=O)N(C(=N3)N)C)/F

DOS

IR

Vibrations