Geometry & MOs

Info

ID:

119558

PubChem CID:

50689928

Reduced:

ClF2O5N6C39H43 (1)

Stoich.:

AB2C5D6E39F43 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-264.76

Dipole, Da:

4.48

IP(EA), eV:

 -9.12(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations