Geometry & MOs

Info

ID:

112403

PubChem CID:

50405879

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-178.53

Dipole, Da:

10.84

IP(EA), eV:

 -8.66(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations