Geometry & MOs

Info

ID:	120016
PubChem CID:	50711590
Reduced:	BrClO3N4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	528.250333
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	2.68
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)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=CC=CC=C3Br

DOS

IR

Vibrations