Geometry & MOs

Info

ID:

90760

PubChem CID:

49971894

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

635.350526

ΔHf, kcal/mol:

-239.64

Dipole, Da:

7.37

IP(EA), eV:

 -8.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)Cl

DOS

IR

Vibrations