Geometry & MOs

Info

ID:

432116

PubChem CID:

135172248

Reduced:

SO2F3N4C23H33 (1)

Stoich.:

AB2C3D4E23F33 (1)

Weight, g/mol:

539.18141

ΔHf, kcal/mol:

-222.88

Dipole, Da:

8.74

IP(EA), eV:

 -8.82(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-4-[1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]ethylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations