Geometry & MOs

Info

ID:	105155
PubChem CID:	50106509
Reduced:	FSO3N6C28H33 (1)
Stoich.:	ABC3D6E28F33 (1)
Weight, g/mol:	520.228597
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	4.57
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations