Geometry & MOs

Info

ID:

116628

PubChem CID:

50569170

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

589.185875

ΔHf, kcal/mol:

-236.22

Dipole, Da:

4.46

IP(EA), eV:

 -8.78(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations