Geometry & MOs

Info

ID:

119202

PubChem CID:

50673669

Reduced:

Cl2O5N6C40H52 (1)

Stoich.:

A2B5C6D40E52 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-223.29

Dipole, Da:

5.61

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N6CCC(CC6)C)Cl

DOS

IR

Vibrations