Geometry & MOs

Info

ID:

91129

PubChem CID:

49973484

Reduced:

FN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

728.333376

ΔHf, kcal/mol:

-290.89

Dipole, Da:

11.64

IP(EA), eV:

 -8.7(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)F

DOS

IR

Vibrations