Geometry & MOs

Info

ID:

104188

PubChem CID:

50096550

Reduced:

ClF3O3N4H26C28 (1)

Stoich.:

AB3C3D4E26F28 (1)

Weight, g/mol:

538.219175

ΔHf, kcal/mol:

-216.0

Dipole, Da:

11.14

IP(EA), eV:

 -8.96(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2-fluoro-4-methylphenyl)piperidine-4-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)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations