Geometry & MOs

Info

ID:

103781

PubChem CID:

50073073

Reduced:

FCl2O3N4C29H29 (1)

Stoich.:

AB2C3D4E29F29 (1)

Weight, g/mol:

570.225403

ΔHf, kcal/mol:

-138.57

Dipole, Da:

6.86

IP(EA), eV:

 -8.6(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations