Geometry & MOs

Info

ID:	285197
PubChem CID:	104098588
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	279.053844
ΔH_f, kcal/mol:	-5.17
Dipole, Da:	5.08
IP(EA), eV:	-9.75(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[2-(triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NCC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations