Geometry & MOs

Info

ID:

114714

PubChem CID:

50493923

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-272.53

Dipole, Da:

0.25

IP(EA), eV:

 -8.85(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations