Geometry & MOs

Info

ID:

108350

PubChem CID:

50242164

Reduced:

F3O4N5C38H38 (1)

Stoich.:

A3B4C5D38E38 (1)

Weight, g/mol:

786.315281

ΔHf, kcal/mol:

-241.38

Dipole, Da:

7.63

IP(EA), eV:

 -8.99(-0.56)

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-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations