Geometry & MOs

Info

ID:

107828

PubChem CID:

50220178

Reduced:

FO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-214.49

Dipole, Da:

10.35

IP(EA), eV:

 -8.86(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations