Geometry & MOs

Info

ID:

119589

PubChem CID:

50692061

Reduced:

Cl2N5O5C33H41 (1)

Stoich.:

A2B5C5D33E41 (1)

Weight, g/mol:

631.232825

ΔHf, kcal/mol:

-210.79

Dipole, Da:

4.63

IP(EA), eV:

 -9.27(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-chlorophenyl]-1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations