Geometry & MOs

Info

ID:

189519

PubChem CID:

77868034

Reduced:

F4O5N6C23H32 (1)

Stoich.:

A4B5C6D23E32 (1)

Weight, g/mol:

520.16282

ΔHf, kcal/mol:

-368.02

Dipole, Da:

4.36

IP(EA), eV:

 -9.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethylamino]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCN(CCN(C(=O)NC1CCOCC1)NC)C2=C(C=C(C=C2F)N3CC(OC3=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations