Geometry & MOs

Info

ID:

92855

PubChem CID:

49990119

Reduced:

ClF3O4N5C34H41 (1)

Stoich.:

AB3C4D5E34F41 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-330.52

Dipole, Da:

9.87

IP(EA), eV:

 -8.79(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations