Geometry & MOs

Info

ID:	8904
PubChem CID:	83419
Reduced:	NOSC2H2 (2)
Stoich.:	ABCD2E2 (2)
Weight, g/mol:	175.97142
ΔH_f, kcal/mol:	27.11
Dipole, Da:	4.02
IP(EA), eV:	-9.64(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-nitro-1,3-thiazole-2-thiol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)S)[N+](=O)[O-]

DOS

IR

Vibrations