Geometry & MOs

Info

ID:

108724

PubChem CID:

50256032

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

563.234411

ΔHf, kcal/mol:

-233.7

Dipole, Da:

5.68

IP(EA), eV:

 -8.48(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations