Geometry & MOs

Info

ID:	227788
PubChem CID:	87562490
Reduced:	SF3N5O6C19H22 (1)
Stoich.:	AB3C5D6E19F22 (1)
Weight, g/mol:	368.161518
ΔH_f, kcal/mol:	-344.24
Dipole, Da:	12.62
IP(EA), eV:	-9.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC(CCC(=O)N1CCN2C(=NN=C2C(F)(F)F)C1)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations