Geometry & MOs

Info

ID:

99346

PubChem CID:

50050142

Reduced:

FN5O6C33H38 (1)

Stoich.:

AB5C6D33E38 (1)

Weight, g/mol:

609.253352

ΔHf, kcal/mol:

-248.12

Dipole, Da:

8.83

IP(EA), eV:

 -8.3(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations