Geometry & MOs

Info

ID:

119228

PubChem CID:

50674624

Reduced:

ClN6O6C39H51 (1)

Stoich.:

AB6C6D39E51 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-242.29

Dipole, Da:

12.29

IP(EA), eV:

 -8.78(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)OC

DOS

IR

Vibrations