Geometry & MOs

Info

ID:	133499
PubChem CID:	51536674
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	339.006513
ΔH_f, kcal/mol:	-176.56
Dipole, Da:	5.78
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxy-2-oxoethyl)phenyl] 3,6-dichloropyridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations