Geometry & MOs

Info

ID:

109352

PubChem CID:

50281384

Reduced:

FN5O6C36H44 (1)

Stoich.:

AB5C6D36E44 (1)

Weight, g/mol:

651.300302

ΔHf, kcal/mol:

-263.9

Dipole, Da:

5.29

IP(EA), eV:

 -8.18(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)OC)OC)C)F

DOS

IR

Vibrations