Geometry & MOs

Info

ID:	403971
PubChem CID:	135063693
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	259.031457
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	5.85
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-6-fluoro-2,2-dioxo-3,4-dihydro-1,2lambda6,3-benzoxathiazin-4-yl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=NN2C(=O)OC(C)(C)C)C3=CC=CC=C3)C

DOS

IR

Vibrations