Geometry & MOs

Info

ID:

112066

PubChem CID:

50393546

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

736.371511

ΔHf, kcal/mol:

-225.72

Dipole, Da:

5.78

IP(EA), eV:

 -8.84(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations