Geometry & MOs

Info

ID:	114960
PubChem CID:	50503395
Reduced:	Cl2O4N5C26H31 (1)
Stoich.:	A2B4C5D26E31 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-176.37
Dipole, Da:	7.81
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations