Geometry & MOs

Info

ID:

101819

PubChem CID:

50065092

Reduced:

ClO4F5N5H33C34 (1)

Stoich.:

AB4C5D5E33F34 (1)

Weight, g/mol:

687.24801

ΔHf, kcal/mol:

-378.05

Dipole, Da:

9.07

IP(EA), eV:

 -8.96(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations