Geometry & MOs

Info

ID:	228729
PubChem CID:	87565627
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	528.220655
ΔH_f, kcal/mol:	4.5
Dipole, Da:	2.88
IP(EA), eV:	-8.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]triazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)NC(CC=O)(C1=CC=NC=C1)N2CCNCC2

DOS

IR

Vibrations