Geometry & MOs

Info

ID:

119641

PubChem CID:

50694878

Reduced:

ClN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

633.17174

ΔHf, kcal/mol:

-241.64

Dipole, Da:

9.2

IP(EA), eV:

 -8.27(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)OC

DOS

IR

Vibrations