Geometry & MOs

Info

ID:

98418

PubChem CID:

50043958

Reduced:

ClN6O6C38H43 (1)

Stoich.:

AB6C6D38E43 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-201.06

Dipole, Da:

9.58

IP(EA), eV:

 -8.64(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations