Geometry & MOs

Info

ID:

112262

PubChem CID:

50400268

Reduced:

FO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-267.87

Dipole, Da:

4.31

IP(EA), eV:

 -8.56(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5

DOS

IR

Vibrations