Geometry & MOs

Info

ID:	43226
PubChem CID:	10319907
Reduced:	SO2F3N5H12C18 (1)
Stoich.:	AB2C3D5E12F18 (1)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	6.46
IP(EA), eV:	-8.94(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)propyl]morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)N4C=CN=C4)C(F)(F)F

DOS

IR

Vibrations