Geometry & MOs

Info

ID:

103978

PubChem CID:

50086440

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-223.45

Dipole, Da:

4.97

IP(EA), eV:

 -8.71(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations