Geometry & MOs

Info

ID:

101462

PubChem CID:

50064731

Reduced:

ClF3O4N5C33H33 (1)

Stoich.:

AB3C4D5E33F33 (1)

Weight, g/mol:

671.253095

ΔHf, kcal/mol:

-257.46

Dipole, Da:

8.59

IP(EA), eV:

 -8.98(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations