Geometry & MOs

Info

ID:

114165

PubChem CID:

50473406

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

669.228488

ΔHf, kcal/mol:

-183.7

Dipole, Da:

9.64

IP(EA), eV:

 -9.05(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)C)F

DOS

IR

Vibrations