Geometry & MOs

Info

ID:

96828

PubChem CID:

50024741

Reduced:

ClO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-207.32

Dipole, Da:

5.29

IP(EA), eV:

 -8.6(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-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)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations