Geometry & MOs

Info

ID:	118584
PubChem CID:	50647913
Reduced:	Cl3O4N5C29H36 (1)
Stoich.:	A3B4C5D29E36 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-188.78
Dipole, Da:	4.57
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations