Geometry & MOs

Info

ID:	297243
PubChem CID:	117613943
Reduced:	O2N3C40H65 (1)
Stoich.:	A2B3C40D65 (1)
Weight, g/mol:	288.97721
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	5.12
IP(EA), eV:	-7.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-propan-2-yl-3H-1,2-benzothiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(C(=C1)C)N=C2C=C(C(=O)C(=C2CC)CC)C(=O)N(C)CCCC)C

DOS

IR

Vibrations