Geometry & MOs

Info

ID:

113800

PubChem CID:

50458900

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

637.287589

ΔHf, kcal/mol:

-287.42

Dipole, Da:

3.68

IP(EA), eV:

 -8.85(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations