Geometry & MOs

Info

ID:

104306

PubChem CID:

50103979

Reduced:

ClFN5O5C35H39 (1)

Stoich.:

ABC5D5E35F39 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-210.92

Dipole, Da:

6.18

IP(EA), eV:

 -8.55(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-methyl-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations