Geometry & MOs

Info

ID:	118127
PubChem CID:	50630164
Reduced:	ClO4N5C29H30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	10.88
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations