Geometry & MOs

Info

ID:

97680

PubChem CID:

50033822

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

722.340353

ΔHf, kcal/mol:

-291.39

Dipole, Da:

4.94

IP(EA), eV:

 -9.29(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations