Geometry & MOs

Info

ID:	117807
PubChem CID:	50616437
Reduced:	Cl2O5N6C28H34 (1)
Stoich.:	A2B5C6D28E34 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-202.13
Dipole, Da:	6.74
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[4-methyl-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations