Geometry & MOs

Info

ID:	425112
PubChem CID:	135125186
Reduced:	BrFSN3O6C23H31 (1)
Stoich.:	ABCD3E6F23G31 (1)
Weight, g/mol:	297.094726
ΔH_f, kcal/mol:	-272.23
Dipole, Da:	2.41
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-ethenyl-2-fluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1(C2([C@H](C2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)S(=O)(=O)N(C(=N1)N)C)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations