Geometry & MOs

Info

ID:	117349
PubChem CID:	50599279
Reduced:	ClF2O4N5C24H26 (1)
Stoich.:	AB2C4D5E24F26 (1)
Weight, g/mol:	549.195439
ΔH_f, kcal/mol:	-225.81
Dipole, Da:	6.03
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations