Geometry & MOs

Info

ID:

119655

PubChem CID:

50695284

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

706.268189

ΔHf, kcal/mol:

-225.54

Dipole, Da:

5.74

IP(EA), eV:

 -9.12(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-[(2-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations