Geometry & MOs

Info

ID:	308621
PubChem CID:	126497168
Reduced:	O8C45H68 (1)
Stoich.:	A8B45C68 (1)
Weight, g/mol:	248.025563
ΔH_f, kcal/mol:	-426.08
Dipole, Da:	3.01
IP(EA), eV:	-9.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1,1-dioxobenzo[g][1,2]benzothiazol-3-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@]2([C@@H](C[C@]3(C4CCC5[C@@](C4CC=C3C2CC1(C)C)(CC[C@@H]([C@]5(C)COC(=O)C=C(C)C)O)C)C)O)COC(=O)C=C(C)C)OC(=O)C=C(C)C

DOS

IR

Vibrations