Geometry & MOs

Info

ID:

105549

PubChem CID:

50111261

Reduced:

FO5N6C34H37 (1)

Stoich.:

AB5C6D34E37 (1)

Weight, g/mol:

547.240639

ΔHf, kcal/mol:

-207.23

Dipole, Da:

11.2

IP(EA), eV:

 -8.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations