Geometry & MOs

Info

ID:

119744

PubChem CID:

50699680

Reduced:

ClFN6O6C40H48 (1)

Stoich.:

ABC6D6E40F48 (1)

Weight, g/mol:

744.340211

ΔHf, kcal/mol:

-281.36

Dipole, Da:

5.85

IP(EA), eV:

 -8.72(-0.71)

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-[3-methyl-1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)C)F

DOS

IR

Vibrations