Geometry & MOs

Info

ID:	14397
PubChem CID:	410735
Reduced:	NSO4H13C20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	363.056529
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	4.14
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-2-(9H-xanthen-9-yl)-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)N4C(=O)C5=CC=CC=C5S4(=O)=O

DOS

IR

Vibrations