Geometry & MOs

Info

ID:	118146
PubChem CID:	50630691
Reduced:	ClN5O5C33H38 (1)
Stoich.:	AB5C5D33E38 (1)
Weight, g/mol:	572.114874
ΔH_f, kcal/mol:	-171.78
Dipole, Da:	9.76
IP(EA), eV:	-8.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations