Geometry & MOs

Info

ID:	117350
PubChem CID:	50599316
Reduced:	ClF2O4N5C26H30 (1)
Stoich.:	AB2C4D5E26F30 (1)
Weight, g/mol:	565.18921
ΔH_f, kcal/mol:	-235.4
Dipole, Da:	5.55
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC=C1F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations