Geometry & MOs

Info

ID:

112415

PubChem CID:

50406385

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-232.94

Dipole, Da:

11.0

IP(EA), eV:

 -9.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations