Geometry & MOs

Info

ID:

114895

PubChem CID:

50501367

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-264.36

Dipole, Da:

8.71

IP(EA), eV:

 -8.96(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)C)F

DOS

IR

Vibrations