Geometry & MOs

Info

ID:

104383

PubChem CID:

50104182

Reduced:

ClF2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

667.278167

ΔHf, kcal/mol:

-222.02

Dipole, Da:

5.43

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]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=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations