Geometry & MOs

Info

ID:	157475
PubChem CID:	56430412
Reduced:	SF3N3O5C17H20 (1)
Stoich.:	AB3C3D5E17F20 (1)
Weight, g/mol:	414.183795
ΔH_f, kcal/mol:	-275.25
Dipole, Da:	5.33
IP(EA), eV:	-9.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CSCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations