Geometry & MOs

Info

ID:	103965
PubChem CID:	50085994
Reduced:	ClFO3N4C29H30 (1)
Stoich.:	ABC3D4E29F30 (1)
Weight, g/mol:	594.16418
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	6.83
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations