Geometry & MOs

Info

ID:

105728

PubChem CID:

50139304

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-237.79

Dipole, Da:

4.52

IP(EA), eV:

 -8.72(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations