Geometry & MOs

Info

ID:	109602
PubChem CID:	50290669
Reduced:	ClFO3N4C28H28 (1)
Stoich.:	ABC3D4E28F28 (1)
Weight, g/mol:	566.13288
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	8.4
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations