Geometry & MOs

Info

ID:	227406
PubChem CID:	87561698
Reduced:	O2C12H19 (2)
Stoich.:	A2B12C19 (2)
Weight, g/mol:	312.078862
ΔH_f, kcal/mol:	-152.92
Dipole, Da:	4.54
IP(EA), eV:	-9.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminosulfanyl-5-cyclohexyl-4-methyl-3H-1,3-benzothiazole-2-thiol

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C(=O)O)OCC

DOS

IR

Vibrations