Geometry & MOs

Info

ID:	229597
PubChem CID:	87568114
Reduced:	O2F3N4C24H25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-160.54
Dipole, Da:	3.62
IP(EA), eV:	-8.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C1CCNC1)N(C)C2=NC3=C(O2)C=CC(=C3)NC(=O)/C=C/C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations