Geometry & MOs

Info

ID:

116946

PubChem CID:

50581753

Reduced:

ClN6O7C40H47 (1)

Stoich.:

AB6C7D40E47 (1)

Weight, g/mol:

744.303826

ΔHf, kcal/mol:

-251.62

Dipole, Da:

7.5

IP(EA), eV:

 -8.25(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methoxyphenyl)-1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6)OC

DOS

IR

Vibrations