Geometry & MOs

Info

ID:

107286

PubChem CID:

50197437

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-245.37

Dipole, Da:

5.46

IP(EA), eV:

 -8.99(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations