Geometry & MOs

Info

ID:

91216

PubChem CID:

49974124

Reduced:

ClN5O6C32H40 (1)

Stoich.:

AB5C6D32E40 (1)

Weight, g/mol:

720.399919

ΔHf, kcal/mol:

-227.38

Dipole, Da:

10.7

IP(EA), eV:

 -8.98(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methylphenyl)-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations