Geometry & MOs

Info

ID:

109299

PubChem CID:

50279876

Reduced:

F4N5O5C35H37 (1)

Stoich.:

A4B5C5D35E37 (1)

Weight, g/mol:

617.281361

ΔHf, kcal/mol:

-375.08

Dipole, Da:

9.41

IP(EA), eV:

 -8.92(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-1-[1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations