Geometry & MOs

Info

ID:

107393

PubChem CID:

50201331

Reduced:

ClO3F4N4C31H31 (1)

Stoich.:

AB3C4D4E31F31 (1)

Weight, g/mol:

600.235968

ΔHf, kcal/mol:

-291.86

Dipole, Da:

5.27

IP(EA), eV:

 -9.24(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations