Geometry & MOs

Info

ID:

116810

PubChem CID:

50576281

Reduced:

ClFO5N6C34H42 (1)

Stoich.:

ABC5D6E34F42 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-257.15

Dipole, Da:

10.49

IP(EA), eV:

 -8.83(-0.57)

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-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C)F

DOS

IR

Vibrations