Geometry & MOs

Info

ID:

115346

PubChem CID:

50519671

Reduced:

ClFN6O6C34H38 (1)

Stoich.:

ABC6D6E34F38 (1)

Weight, g/mol:

601.266712

ΔHf, kcal/mol:

-247.91

Dipole, Da:

1.78

IP(EA), eV:

 -8.39(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations