Geometry & MOs

Info

ID:	118332
PubChem CID:	50638843
Reduced:	Cl2O4N5C26H31 (1)
Stoich.:	A2B4C5D26E31 (1)
Weight, g/mol:	531.20486
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	7.85
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations