Geometry & MOs

Info

ID:	103966
PubChem CID:	50085996
Reduced:	BrFO3N4C30H32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	556.209753
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	11.14
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]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)C)C)Br

DOS

IR

Vibrations