Geometry & MOs

Info

ID:

319603

PubChem CID:

126656774

Reduced:

FSN4O4C28H33 (1)

Stoich.:

ABC4D4E28F33 (1)

Weight, g/mol:

481.128312

ΔHf, kcal/mol:

-148.05

Dipole, Da:

8.57

IP(EA), eV:

 -8.79(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-5-hydroxy-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(C(N(C2=S)C3=CC(=C(C=C3)OCC4(CC4)NC(=O)OC(C)(C)C)F)(C)C)O)C#N

DOS

IR

Vibrations