Geometry & MOs

Info

ID:

118108

PubChem CID:

50629347

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-241.6

Dipole, Da:

4.58

IP(EA), eV:

 -9.13(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[3-(phenylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations