Geometry & MOs

Info

ID:	114988
PubChem CID:	50504930
Reduced:	ClF2O4N5C25H28 (1)
Stoich.:	AB2C4D5E25F28 (1)
Weight, g/mol:	584.251396
ΔH_f, kcal/mol:	-239.54
Dipole, Da:	7.29
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations