Geometry & MOs

Info

ID:	13821
PubChem CID:	398903
Reduced:	SCl2O2N7H11C13 (1)
Stoich.:	AB2C2D7E11F13 (1)
Weight, g/mol:	399.007199
ΔH_f, kcal/mol:	86.55
Dipole, Da:	6.69
IP(EA), eV:	-8.65(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-])Cl.Cl

DOS

IR

Vibrations