Geometry & MOs

Info

ID:

110467

PubChem CID:

50325527

Reduced:

BrO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

563.310769

ΔHf, kcal/mol:

-194.09

Dipole, Da:

4.67

IP(EA), eV:

 -8.85(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C)C(=O)N(C)C

DOS

IR

Vibrations