Geometry & MOs

Info

ID:	229071
PubChem CID:	87566888
Reduced:	O3C4H9 (2)
Stoich.:	A3B4C9 (2)
Weight, g/mol:	497.155133
ΔH_f, kcal/mol:	-277.34
Dipole, Da:	6.57
IP(EA), eV:	-10.16(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(E)-[(4R)-1-[(1R)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations