Geometry & MOs

Info

ID:	120387
PubChem CID:	50725331
Reduced:	BrClO3N4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	496.148903
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	10.38
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C)Br

DOS

IR

Vibrations