Geometry & MOs

Info

ID:

96782

PubChem CID:

50024486

Reduced:

FN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

664.394833

ΔHf, kcal/mol:

-278.22

Dipole, Da:

6.72

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-(propanoylamino)anilino]-3-methyl-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)OC)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations