Geometry & MOs

Info

ID:

108365

PubChem CID:

50242922

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

782.340353

ΔHf, kcal/mol:

-150.11

Dipole, Da:

10.11

IP(EA), eV:

 -8.64(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations