Geometry & MOs

Info

ID:

93113

PubChem CID:

49991725

Reduced:

ClF3O4N5C33H41 (1)

Stoich.:

AB3C4D5E33F41 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-344.14

Dipole, Da:

8.87

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations