Geometry & MOs

Info

ID:	407429
PubChem CID:	135080086
Reduced:	O3C22H28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	302.97173
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	7.93
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-2H-1,4-benzothiazine

Drug info:

PubChemData

Smile

CC(=O)C(=O)[C@]1(CCC2[C@@]1(CCC3=C4CCC(=O)C=C4CCC23)C)C

DOS

IR

Vibrations