Geometry & MOs

Info

ID:

112841

PubChem CID:

50422254

Reduced:

BrClO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-175.28

Dipole, Da:

5.79

IP(EA), eV:

 -8.92(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-6-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)Cl)C

DOS

IR

Vibrations