Geometry & MOs

Info

ID:

91368

PubChem CID:

49975416

Reduced:

ClN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-198.39

Dipole, Da:

9.89

IP(EA), eV:

 -8.92(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations