Geometry & MOs

Info

ID:

109654

PubChem CID:

50292661

Reduced:

FN5O6C35H38 (1)

Stoich.:

AB5C6D35E38 (1)

Weight, g/mol:

653.262517

ΔHf, kcal/mol:

-237.94

Dipole, Da:

7.86

IP(EA), eV:

 -8.35(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations