Geometry & MOs

Info

ID:

90511

PubChem CID:

49970089

Reduced:

ClO5N6C38H49 (1)

Stoich.:

AB5C6D38E49 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-213.1

Dipole, Da:

11.56

IP(EA), eV:

 -8.86(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-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)N6CCCC6

DOS

IR

Vibrations