Geometry & MOs

Info

ID:

106618

PubChem CID:

50170984

Reduced:

ClO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

568.283175

ΔHf, kcal/mol:

-230.85

Dipole, Da:

8.87

IP(EA), eV:

 -8.87(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations