Geometry & MOs

Info

ID:	43067
PubChem CID:	10318279
Reduced:	FNNaO4H19C21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	391.054815
ΔH_f, kcal/mol:	-207.9
Dipole, Da:	10.98
IP(EA), eV:	-8.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+]

DOS

IR

Vibrations