Geometry & MOs

Info

ID:	228957
PubChem CID:	87566412
Reduced:	O7C15H32 (1)
Stoich.:	A7B15C32 (1)
Weight, g/mol:	499.194106
ΔH_f, kcal/mol:	-347.7
Dipole, Da:	6.93
IP(EA), eV:	-9.53(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations