Geometry & MOs

Info

ID:

117599

PubChem CID:

50608431

Reduced:

ClF2O5N6C35H37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

694.248202

ΔHf, kcal/mol:

-256.58

Dipole, Da:

12.61

IP(EA), eV:

 -8.92(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-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(=C(C=C5)Cl)C(=O)NC

DOS

IR

Vibrations