Geometry & MOs

Info

ID:

116873

PubChem CID:

50579117

Reduced:

ClO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

686.299489

ΔHf, kcal/mol:

-231.12

Dipole, Da:

12.49

IP(EA), eV:

 -8.9(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCC(CC6)C

DOS

IR

Vibrations