Geometry & MOs

Info

ID:	117803
PubChem CID:	50616433
Reduced:	ClN5O6C28H36 (1)
Stoich.:	AB5C6D28E36 (1)
Weight, g/mol:	531.20486
ΔH_f, kcal/mol:	-226.86
Dipole, Da:	5.4
IP(EA), eV:	-8.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations