Geometry & MOs

Info

ID:	117840
PubChem CID:	50617853
Reduced:	Cl2O4N5C23H25 (1)
Stoich.:	A2B4C5D23E25 (1)
Weight, g/mol:	595.17531
ΔH_f, kcal/mol:	-150.64
Dipole, Da:	5.37
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations