Geometry & MOs

Info

ID:

108522

PubChem CID:

50248520

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

597.195439

ΔHf, kcal/mol:

-225.74

Dipole, Da:

4.53

IP(EA), eV:

 -9.15(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)Cl

DOS

IR

Vibrations