Geometry & MOs

Info

ID:	105338
PubChem CID:	50106958
Reduced:	BrFO3N4C29H30 (1)
Stoich.:	ABC3D4E29F30 (1)
Weight, g/mol:	530.269319
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	8.3
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)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)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations