Geometry & MOs

Info

ID:	425309
PubChem CID:	135125895
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	420.107455
ΔH_f, kcal/mol:	-171.35
Dipole, Da:	2.54
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(4-chlorophenyl)ethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=NN(C=C3)C)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations