Geometry & MOs

Info

ID:	120498
PubChem CID:	50730444
Reduced:	ClN5O5C34H46 (1)
Stoich.:	AB5C5D34E46 (1)
Weight, g/mol:	575.229932
ΔH_f, kcal/mol:	-226.81
Dipole, Da:	9.58
IP(EA), eV:	-8.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC

DOS

IR

Vibrations