Geometry & MOs

Info

ID:	401414
PubChem CID:	135051207
Reduced:	PSN2O2H26C29 (1)
Stoich.:	ABC2D2E26F29 (1)
Weight, g/mol:	141.022449
ΔH_f, kcal/mol:	25.71
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760293
Charge, e:	0

Chem-info

IUPAC name:

lithium;3H-2,1-benzothiazol-3-ide

Drug info:

PubChemData

Smile

CNC(=O)C(C(=S)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations