Geometry & MOs

Info

ID:

112050

PubChem CID:

50393228

Reduced:

FN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

744.34469

ΔHf, kcal/mol:

-261.71

Dipole, Da:

10.39

IP(EA), eV:

 -8.84(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations