Geometry & MOs

Info

ID:	228954
PubChem CID:	87566378
Reduced:	O5C6H14 (1)
Stoich.:	A5B6C14 (1)
Weight, g/mol:	448.158055
ΔH_f, kcal/mol:	-235.08
Dipole, Da:	6.06
IP(EA), eV:	-10.23(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)OC.C(CO)O

DOS

IR

Vibrations