Geometry & MOs

Info

ID:

223813

PubChem CID:

85335611

Reduced:

FSN3O4C32H38 (1)

Stoich.:

ABC3D4E32F38 (1)

Weight, g/mol:

582.065475

ΔHf, kcal/mol:

-166.88

Dipole, Da:

7.0

IP(EA), eV:

 -8.85(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-cyano-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenyl]-N-ethylsulfonyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations