Geometry & MOs

Info

ID:

120556

PubChem CID:

50733540

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-196.85

Dipole, Da:

6.75

IP(EA), eV:

 -8.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations