Geometry & MOs

Info

ID:	14226
PubChem CID:	406812
Reduced:	ClSO4N7C15H16 (1)
Stoich.:	ABC4D7E15F16 (1)
Weight, g/mol:	425.067301
ΔH_f, kcal/mol:	8.92
Dipole, Da:	1.9
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-carbamimidoyl-6-(4,5-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2=C(N3C=CSC3=N2)C(=NC(=N)N)N)[N+](=O)[O-])OC.Cl

DOS

IR

Vibrations