Geometry & MOs

Info

ID:

110624

PubChem CID:

50332759

Reduced:

SO4N7C31H45 (1)

Stoich.:

AB4C7D31E45 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-154.44

Dipole, Da:

9.19

IP(EA), eV:

 -9.0(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations