Geometry & MOs

Info

ID:

114526

PubChem CID:

50486957

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-206.76

Dipole, Da:

15.05

IP(EA), eV:

 -8.74(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations