Geometry & MOs

Info

ID:

108296

PubChem CID:

50240260

Reduced:

ClF2O5N6C34H35 (1)

Stoich.:

AB2C5D6E34F35 (1)

Weight, g/mol:

786.315281

ΔHf, kcal/mol:

-261.57

Dipole, Da:

14.71

IP(EA), eV:

 -8.86(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations