Geometry & MOs

Info

ID:	424888
PubChem CID:	135124330
Reduced:	OPF6H14C17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-354.25
Dipole, Da:	12.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865330
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2,3-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations