Geometry & MOs

Info

ID:	67658
PubChem CID:	46506911
Reduced:	FNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	435.130443
ΔH_f, kcal/mol:	-98.5
Dipole, Da:	8.94
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[4-(3-ethylphenyl)-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]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(=CC(=C4)C)C

DOS

IR

Vibrations