Geometry & MOs

Info

ID:

116901

PubChem CID:

50580186

Reduced:

ClSO4N5C34H46 (1)

Stoich.:

ABC4D5E34F46 (1)

Weight, g/mol:

643.26921

ΔHf, kcal/mol:

-179.89

Dipole, Da:

7.42

IP(EA), eV:

 -8.56(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC)Cl

DOS

IR

Vibrations