Geometry & MOs

Info

ID:

91834

PubChem CID:

49979445

Reduced:

ClN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

728.308911

ΔHf, kcal/mol:

-216.15

Dipole, Da:

11.03

IP(EA), eV:

 -8.97(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C)Cl

DOS

IR

Vibrations