Geometry & MOs

Info

ID:

91807

PubChem CID:

49979291

Reduced:

FN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-246.75

Dipole, Da:

9.44

IP(EA), eV:

 -8.49(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations