Geometry & MOs

Info

ID:	120388
PubChem CID:	50725332
Reduced:	ClF3O3N4C23H24 (1)
Stoich.:	AB3C3D4E23F24 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	4.11
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations