Geometry & MOs

Info

ID:	115631
PubChem CID:	50529345
Reduced:	Cl2O3N4C27H34 (1)
Stoich.:	A2B3C4D27E34 (1)
Weight, g/mol:	514.234683
ΔH_f, kcal/mol:	-139.1
Dipole, Da:	4.9
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations