Geometry & MOs

Info

ID:	120410
PubChem CID:	50725727
Reduced:	ClO4N5C34H38 (1)
Stoich.:	AB4C5D34E38 (1)
Weight, g/mol:	554.04871
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	8.54
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations