Geometry & MOs

Info

ID:

92618

PubChem CID:

49988571

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-243.45

Dipole, Da:

8.2

IP(EA), eV:

 -9.21(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(propanoylamino)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations