Geometry & MOs

Info

ID:

69051

PubChem CID:

46516665

Reduced:

FSO2N4H19C22 (1)

Stoich.:

ABC2D4E19F22 (1)

Weight, g/mol:

476.076611

ΔHf, kcal/mol:

5.2

Dipole, Da:

4.0

IP(EA), eV:

 -9.14(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=NC4=CC=CC=C4C(=O)N3CC=C)F

DOS

IR

Vibrations