Geometry & MOs

Info

ID:

119359

PubChem CID:

50680595

Reduced:

ClO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

730.264853

ΔHf, kcal/mol:

-218.54

Dipole, Da:

11.85

IP(EA), eV:

 -9.11(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations