Geometry & MOs

Info

ID:

96825

PubChem CID:

50024724

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

676.394833

ΔHf, kcal/mol:

-228.97

Dipole, Da:

5.88

IP(EA), eV:

 -8.81(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations