Geometry & MOs

Info

ID:

119536

PubChem CID:

50689354

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-178.97

Dipole, Da:

7.14

IP(EA), eV:

 -8.78(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC(=C5)C)C

DOS

IR

Vibrations