Geometry & MOs

Info

ID:	229220
PubChem CID:	87567211
Reduced:	ClFSO2N3C23H25 (1)
Stoich.:	ABCD2E3F23G25 (1)
Weight, g/mol:	487.205339
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	5.18
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=NC=CN=C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations