Geometry & MOs

Info

ID:

91101

PubChem CID:

49973290

Reduced:

ClN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-250.86

Dipole, Da:

5.47

IP(EA), eV:

 -9.15(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations