Geometry & MOs

Info

ID:

90515

PubChem CID:

49970094

Reduced:

ClO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-229.48

Dipole, Da:

8.39

IP(EA), eV:

 -9.0(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations