Geometry & MOs

Info

ID:

113775

PubChem CID:

50458252

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

772.299631

ΔHf, kcal/mol:

-324.03

Dipole, Da:

4.39

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations