Geometry & MOs

Info

ID:

118204

PubChem CID:

50633358

Reduced:

ClN6O6C36H45 (1)

Stoich.:

AB6C6D36E45 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-233.68

Dipole, Da:

12.02

IP(EA), eV:

 -8.97(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations