Geometry & MOs

Info

ID:	5730
PubChem CID:	13599
Reduced:	SH2N2O2C3 (1)
Stoich.:	AB2C2D2E3 (1)
Weight, g/mol:	129.983698
ΔH_f, kcal/mol:	41.05
Dipole, Da:	4.04
IP(EA), eV:	-10.38(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-1,2-thiazole

Drug info:

PubChemData

Smile

C1=C(C=NS1)[N+](=O)[O-]

DOS

IR

Vibrations