Geometry & MOs

Info

ID:	156592
PubChem CID:	56371272
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	411.094057
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	7.08
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC=CC(=C4)NC(=O)COC

DOS

IR

Vibrations