Geometry & MOs

Info

ID:	449189
PubChem CID:	135296670
Reduced:	S2N6O6C61H68 (1)
Stoich.:	A2B6C6D61E68 (1)
Weight, g/mol:	130.986342
ΔH_f, kcal/mol:	-147.88
Dipole, Da:	4.86
IP(EA), eV:	-9.18(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1,3-thiazole-4-thiol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNS(=O)(=O)C1=CC2=C(C=C1)N3C(=N2)C4=C5C(=CC=C6C5=C(C=C4)C7=CC=C8C9=C(C=CC6=C79)C1=NC2=C(N1C8=O)C=CC(=C2)S(=O)(=O)N(C)CCCCCCCCCCCC)C3=O

DOS

IR

Vibrations