Geometry & MOs

Info

ID:

113435

PubChem CID:

50445600

Reduced:

FN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-220.64

Dipole, Da:

6.46

IP(EA), eV:

 -8.34(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-1-[1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations