Geometry & MOs

Info

ID:	229719
PubChem CID:	87568641
Reduced:	FSN2O3C25H29 (1)
Stoich.:	ABC2D3E25F29 (1)
Weight, g/mol:	487.205339
ΔH_f, kcal/mol:	-92.06
Dipole, Da:	3.27
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]-N-hydroxypentanamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=CC=C1/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations