Geometry & MOs

Info

ID:

118857

PubChem CID:

50661430

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

627.282362

ΔHf, kcal/mol:

-189.36

Dipole, Da:

4.71

IP(EA), eV:

 -8.71(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations