Geometry & MOs

Info

ID:

113757

PubChem CID:

50457369

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-285.81

Dipole, Da:

8.63

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations