Geometry & MOs

Info

ID:	118239
PubChem CID:	50635543
Reduced:	Cl2O4N5C27H33 (1)
Stoich.:	A2B4C5D27E33 (1)
Weight, g/mol:	545.22051
ΔH_f, kcal/mol:	-176.3
Dipole, Da:	4.99
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl

DOS

IR

Vibrations