Geometry & MOs

Info

ID:

104424

PubChem CID:

50104248

Reduced:

F3O4N5C34H36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

701.239195

ΔHf, kcal/mol:

-258.55

Dipole, Da:

6.1

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations