Geometry & MOs

Info

ID:

109121

PubChem CID:

50273614

Reduced:

ClFO4N5C34H37 (1)

Stoich.:

ABC4D5E34F37 (1)

Weight, g/mol:

649.287589

ΔHf, kcal/mol:

-168.99

Dipole, Da:

6.27

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations