Geometry & MOs

Info

ID:

91130

PubChem CID:

49973493

Reduced:

FN6O7C39H45 (1)

Stoich.:

AB6C7D39E45 (1)

Weight, g/mol:

698.322811

ΔHf, kcal/mol:

-278.86

Dipole, Da:

5.88

IP(EA), eV:

 -8.66(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)carbamoyl]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=CC(=C(C=C5)F)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations