Geometry & MOs

Info

ID:	94814
PubChem CID:	50004023
Reduced:	Cl2O3N4C27H34 (1)
Stoich.:	A2B3C4D27E34 (1)
Weight, g/mol:	500.259897
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	9.66
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations