Geometry & MOs

Info

ID:

111957

PubChem CID:

50388730

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-264.52

Dipole, Da:

4.7

IP(EA), eV:

 -8.22(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations