Geometry & MOs

Info

ID:	229416
PubChem CID:	87567585
Reduced:	NO5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	471.199191
ΔH_f, kcal/mol:	-211.46
Dipole, Da:	6.49
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(E)-[(4S)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CC(=O)NC1=CC=C(O1)C(=O)OC

DOS

IR

Vibrations