Geometry & MOs

Info

ID:

95763

PubChem CID:

50013838

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

661.20305

ΔHf, kcal/mol:

-227.79

Dipole, Da:

12.91

IP(EA), eV:

 -9.11(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations