Geometry & MOs

Info

ID:	120043
PubChem CID:	50712069
Reduced:	BrClO3N4C27H34 (1)
Stoich.:	ABC3D4E27F34 (1)
Weight, g/mol:	526.234683
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	6.09
IP(EA), eV:	-9.04(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations