Geometry & MOs

Info

ID:

115159

PubChem CID:

50511616

Reduced:

ClFN6O6C35H38 (1)

Stoich.:

ABC6D6E35F38 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-245.13

Dipole, Da:

9.61

IP(EA), eV:

 -8.31(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations