Geometry & MOs

Info

ID:	295681
PubChem CID:	117542291
Reduced:	BrOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	269.087435
ΔH_f, kcal/mol:	19.69
Dipole, Da:	2.6
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(S1)C=C(C=C2)Br)CC3=CC=CC=N3

DOS

IR

Vibrations