Geometry & MOs

Info

ID:

117194

PubChem CID:

50594346

Reduced:

ClFO5N6C35H46 (1)

Stoich.:

ABC5D6E35F46 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-271.65

Dipole, Da:

12.25

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)F

DOS

IR

Vibrations