Geometry & MOs

Info

ID:

111212

PubChem CID:

50357726

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

682.360946

ΔHf, kcal/mol:

-231.48

Dipole, Da:

12.49

IP(EA), eV:

 -8.64(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCCC)C

DOS

IR

Vibrations