Geometry & MOs

Info

ID:

116830

PubChem CID:

50576966

Reduced:

Cl2N6O6C33H42 (1)

Stoich.:

A2B6C6D33E42 (1)

Weight, g/mol:

722.238638

ΔHf, kcal/mol:

-262.77

Dipole, Da:

10.49

IP(EA), eV:

 -9.0(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-2-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations