Geometry & MOs

Info

ID:	102318
PubChem CID:	50066222
Reduced:	FCl2O3N4H27C28 (1)
Stoich.:	AB2C3D4E27F28 (1)
Weight, g/mol:	520.228597
ΔH_f, kcal/mol:	-132.87
Dipole, Da:	9.0
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations