Geometry & MOs

Info

ID:	117477
PubChem CID:	50604191
Reduced:	ClFO4N5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	556.220096
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	7.13
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)F

DOS

IR

Vibrations