Geometry & MOs

Info

ID:

119033

PubChem CID:

50668280

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-226.23

Dipole, Da:

8.09

IP(EA), eV:

 -8.98(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations