Geometry & MOs

Info

ID:

116657

PubChem CID:

50570559

Reduced:

Cl2N6O6C35H44 (1)

Stoich.:

A2B6C6D35E44 (1)

Weight, g/mol:

712.254289

ΔHf, kcal/mol:

-239.97

Dipole, Da:

7.35

IP(EA), eV:

 -9.16(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations