Geometry & MOs

Info

ID:

113671

PubChem CID:

50454365

Reduced:

F2N6O6C43H46 (1)

Stoich.:

A2B6C6D43E46 (1)

Weight, g/mol:

780.34469

ΔHf, kcal/mol:

-258.35

Dipole, Da:

7.37

IP(EA), eV:

 -8.42(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F)OC

DOS

IR

Vibrations