Geometry & MOs

Info

ID:

116629

PubChem CID:

50569276

Reduced:

Cl2N5O5C28H33 (1)

Stoich.:

A2B5C5D28E33 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-199.32

Dipole, Da:

10.63

IP(EA), eV:

 -8.86(-0.53)

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-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations