Geometry & MOs

Info

ID:	228578
PubChem CID:	87565336
Reduced:	O10C17H34 (1)
Stoich.:	A10B17C34 (1)
Weight, g/mol:	486.173705
ΔH_f, kcal/mol:	-475.94
Dipole, Da:	12.52
IP(EA), eV:	-10.03(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]triazol-2-yl]acetate

Drug info:

PubChemData

Smile

COC(C(C(=O)O)O)C(=O)O.C(CCOCCCCOCCCCO)CO

DOS

IR

Vibrations