Geometry & MOs

Info

ID:

440852

PubChem CID:

135231866

Reduced:

SO2F3N6H21C23 (1)

Stoich.:

AB2C3D6E21F23 (1)

Weight, g/mol:

483.13298

ΔHf, kcal/mol:

-74.17

Dipole, Da:

6.37

IP(EA), eV:

 -8.62(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[[5-(difluoromethoxy)-6-methylcyclohexa-2,4-dien-1-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)SN3CCCC3)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations