Geometry & MOs

Info

ID:	99187
PubChem CID:	50048886
Reduced:	ClFO4N5C33H37 (1)
Stoich.:	ABC4D5E33F37 (1)
Weight, g/mol:	724.318475
ΔH_f, kcal/mol:	-193.94
Dipole, Da:	4.22
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations