Geometry & MOs

Info

ID:

107297

PubChem CID:

50197959

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-194.73

Dipole, Da:

4.73

IP(EA), eV:

 -8.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-methyl-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations