Geometry & MOs

Info

ID:

116918

PubChem CID:

50581128

Reduced:

ClF3O4N5C29H33 (1)

Stoich.:

AB3C4D5E29F33 (1)

Weight, g/mol:

621.232967

ΔHf, kcal/mol:

-297.66

Dipole, Da:

4.77

IP(EA), eV:

 -9.2(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations