Geometry & MOs

Info

ID:

112900

PubChem CID:

50424928

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-275.8

Dipole, Da:

6.94

IP(EA), eV:

 -8.95(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC

DOS

IR

Vibrations