Geometry & MOs

Info

ID:	227681
PubChem CID:	87562217
Reduced:	BrNO15C29H56 (1)
Stoich.:	ABC15D29E56 (1)
Weight, g/mol:	348.023849
ΔH_f, kcal/mol:	-634.87
Dipole, Da:	5.36
IP(EA), eV:	-10.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr)C(=O)O

DOS

IR

Vibrations