Geometry & MOs

Info

ID:	371903
PubChem CID:	131278416
Reduced:	FNCl2O2H4C10 (1)
Stoich.:	ABC2D2E4F10 (1)
Weight, g/mol:	154.05647
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	5.6
IP(EA), eV:	-9.93(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,3-dihydro-1H-pyrrolo[2,3-b][1,4]thiazine

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1F)N=CC(=C2Cl)C(=O)O)Cl

DOS

IR

Vibrations