Geometry & MOs

Info

ID:

97393

PubChem CID:

50031136

Reduced:

ClF2O3N4C29H29 (1)

Stoich.:

AB2C3D4E29F29 (1)

Weight, g/mol:

675.246867

ΔHf, kcal/mol:

-173.23

Dipole, Da:

8.45

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations