Geometry & MOs

Info

ID:

97439

PubChem CID:

50031711

Reduced:

ClF2N4O4C29H29 (1)

Stoich.:

AB2C4D4E29F29 (1)

Weight, g/mol:

661.231217

ΔHf, kcal/mol:

-204.5

Dipole, Da:

4.13

IP(EA), eV:

 -8.79(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(2,6-difluorophenyl)carbamoyl]phenyl]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=CC(=C4)Cl)OC

DOS

IR

Vibrations