Geometry & MOs

Info

ID:	120096
PubChem CID:	50713802
Reduced:	Cl2O5N6C30H36 (1)
Stoich.:	A2B5C6D30E36 (1)
Weight, g/mol:	502.214697
ΔH_f, kcal/mol:	-200.96
Dipole, Da:	2.88
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations