Geometry & MOs

Info

ID:

108404

PubChem CID:

50243900

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

778.342103

ΔHf, kcal/mol:

-253.78

Dipole, Da:

8.73

IP(EA), eV:

 -8.81(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations