Geometry & MOs

Info

ID:

110984

PubChem CID:

50347291

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-237.56

Dipole, Da:

6.68

IP(EA), eV:

 -8.39(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-anilino-3-oxopropyl)-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(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C

DOS

IR

Vibrations