Geometry & MOs

Info

ID:	43460
PubChem CID:	10321331
Reduced:	BNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	445.04596
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	6.47
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-11-[(4-methylpiperazin-1-yl)methyl]indolo[1,2-b][1,2]benzothiazole 5,5-dioxide

Drug info:

PubChemData

Smile

B(C1=CC(=CC=C1)NC(=O)C=C)(O)O

DOS

IR

Vibrations