Geometry & MOs

Info

ID:

120278

PubChem CID:

50720995

Reduced:

Cl2F3O4N5C34H36 (1)

Stoich.:

A2B3C4D5E34F36 (1)

Weight, g/mol:

633.271797

ΔHf, kcal/mol:

-296.56

Dipole, Da:

2.53

IP(EA), eV:

 -9.01(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations