Geometry & MOs

Info

ID:	67654
PubChem CID:	46506906
Reduced:	N2S2O4H26C27 (1)
Stoich.:	A2B2C4D26E27 (1)
Weight, g/mol:	421.114793
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	1.98
IP(EA), eV:	-8.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=CS2)C3=CC=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)C

DOS

IR

Vibrations