Geometry & MOs

Info

ID:

110154

PubChem CID:

50313758

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-234.98

Dipole, Da:

12.42

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations