Geometry & MOs

Info

ID:

102142

PubChem CID:

50065422

Reduced:

BrFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-168.85

Dipole, Da:

9.33

IP(EA), eV:

 -8.94(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)Br

DOS

IR

Vibrations