Geometry & MOs

Info

ID:

440824

PubChem CID:

135231683

Reduced:

SO2N4C20H22 (1)

Stoich.:

AB2C4D20E22 (1)

Weight, g/mol:

492.264902

ΔHf, kcal/mol:

-17.33

Dipole, Da:

6.7

IP(EA), eV:

 -8.73(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(2-fluoropropan-2-yloxy)phenyl]-5-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)C(=O)N)/C=C\C(=C)[C@@]3(CC(=O)N(C(=N3)N)C)C

DOS

IR

Vibrations