Geometry & MOs

Info

ID:	67656
PubChem CID:	46506909
Reduced:	FNSO3H20C24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	435.130443
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	8.82
IP(EA), eV:	-9.26(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylphenyl)-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]-(4-ethylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=C(C=C3)F)C4=CC=C(C=C4)C

DOS

IR

Vibrations