Geometry & MOs

Info

ID:

115462

PubChem CID:

50523562

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

591.12479

ΔHf, kcal/mol:

-226.18

Dipole, Da:

8.77

IP(EA), eV:

 -9.01(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]-1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations